AG003JEJ

766-36-9 | 3-Ethyl-4-methyl-2,5-dihydro-1H-pyrrol-2-one

AG003JEJ

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CAS Number	766-36-9
Catalog Number	AG003JEJ(AGN-PC-0JX2B9)
Chemical Name	3-Ethyl-4-methyl-2,5-dihydro-1H-pyrrol-2-one
IUPAC Name	4-ethyl-3-methyl-1,2-dihydropyrrol-5-one
InChI	InChI=1S/C7H11NO/c1-3-6-5(2)4-8-7(6)9/h3-4H2,1-2H3,(H,8,9)
InChI Key	YCTNTSVMJWIYTQ-UHFFFAOYSA-N
MDL Number	MFCD00173861
Molecular Formula	C7H11NO
Molecular Weight	125.1683
SMILES	O=C1NCC(C)=C1CC
Synonyms	766-36-9, 3-Ethyl-4-methyl-3-pyrrolin-2-one, 3-Ethyl-4-methyl-3-pyrroline-2-one, 3-Ethyl-4-methyl-2,5-dihydro-1H-pyrrol-2-one, 3-ethyl-4-methyl-1H-pyrrol-2(5H)-one, 4-ethyl-3-methyl-1,2-dihydropyrrol-5-one, 2H-Pyrrol-2-one, 3-ethyl-1,5-dihydro-4-methyl-, MFCD00173861, 1,5-DIHYDRO-3-ETHYL-4-METHYL-2H-PYRROL-2-ONE, AK-26320, 3-ethyl-4-methyl-2-oxo-3-pyrroline, PubChem12392, AC1LGZ1O, AC1Q2SRS, EC 616-364-4, KSC496Q3T, SCHEMBL1430224, CTK3J6839, YCTNTSVMJWIYTQ-UHFFFAOYSA-, 3-ethyl-4-methylpyrroline-2-one, DTXSID70357558, YCTNTSVMJWIYTQ-UHFFFAOYSA-N, ZINC404205, BCP28365, ZX-AT018317, AN-208, ANW-45270, CE-038, FCH949720, AKOS006223717, AKOS025243428, AB04375, ACN-051106, AM62801, CS-W002472, RP19649, RTC-030696, TRA0012466, VZ26768, KS-00000E03, AC-23984, AJ-22271, AS-12826, CC-14995, CJ-03969, SC-46219, SY032675, ZB013403, 3-Ethyl-4-methyl-3-pyrrolin-2-one 98%, 3-ethyl-4-methyl-1,5-dihydropyrrol-2-one, AB0012474, DB-006425, ST2417690, TC-030696, 3-Ethyl-4-methyl-3-pyrrolin-2-one, 97%, A9711, E0964, FT-0600899, MFCD00173861 (97%), E14400, M-3503, 3-ethyl-1,2-dihydro-4-methyl-5H-pyrrol-2-one, 766E369, C-00976, 3-ethyl-4-methyl-2,5-dihydro-1h-pyrroline-2-one, I14-0799, J-512425, 3-ETHYL-1,5-DIHYDRO-4-METHYL-2H-PYRROL-2-ONE, InChI=1/C7H11NO/c1-3-6-5(2)4-8-7(6)9/h3-4H2,1-2H3,(H,8,9), Not Available, C7H11NO, 3-Ethyl-4-methyl-2-oxopyrroline, CID854146, ZINC00404205, 3-Ethyl-4-methyl-3-pyrolline-2-one, 3-Ethyl-4-methyl-1,5-dihydro-pyrrol, CS-O-31571, CS-T-22974, 3-Ethyl-4-methyl-3-pyrrolin-2-one, 98% 250mg, 3-Ethyl-4-methyl-3-pyrrolin-2-one, 99% - 1G 1g,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	125.084g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	125.171g/mol
Monoisotopic Mass	125.084g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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