| CAS Number | 101046-32-6 |
| Catalog Number | AG00IL0Z(AGN-PC-0NV4FW) |
| Chemical Name | Cyclopenta[c]pyrrol-4(1H)-one, hexahydro-2-(phenylmethyl)-, cis- |
| IUPAC Name | (3aR,6aS)-2-benzyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one |
| InChI | InChI=1S/C14H17NO/c16-14-7-6-12-9-15(10-13(12)14)8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2/t12-,13+/m1/s1 |
| InChI Key | DLTLETIGPVMJIX-OLZOCXBDSA-N |
| MDL Number | MFCD27952939 |
| Molecular Formula | C14H17NO |
| Molecular Weight | 215.2909 |
| SMILES | O=C1[C@@H]2[C@@H](CN(C2)CC2=CC=CC=C2)CC1 |
| Synonyms | cis-2-Benzylhexahydrocyclopenta[c]pyrrol-4(1H)-one,
101046-32-6,
SCHEMBL1336325,
DLTLETIGPVMJIX-OLZOCXBDSA-N,
ZINC12336782,
AKOS032963390,
SB20989,
CS-0049743,
(cis)-2-Benzylhexahydrocyclopenta[c]pyrrol-4(1H)-one,
(1R,5S)-7-Benzyl-2-oxo-7-azabicyclo[3.3.0]octane,
(3aR,6aS)-2-Benzylhexahydrocyclopenta[c]pyrrol-4(5H)-one,
cis-2-benzyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one,
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| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.296g/mol |
| Monoisotopic Mass | 215.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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