| CAS Number | 1022422-91-8 |
| Catalog Number | AG00IX0T(AGN-PC-0WB0ZR) |
| Chemical Name | 1-phenyl-N-(prop-2-yn-1-yl)cyclopentane-1-carboxamide |
| IUPAC Name | 1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide |
| InChI | InChI=1S/C15H17NO/c1-2-12-16-14(17)15(10-6-7-11-15)13-8-4-3-5-9-13/h1,3-5,8-9H,6-7,10-12H2,(H,16,17) |
| InChI Key | ZNXPESVQYMWMDS-UHFFFAOYSA-N |
| MDL Number | MFCD03839475 |
| Molecular Formula | C15H17NO |
| Molecular Weight | 227.3016 |
| SMILES | O=C(NCC#C)C2(C1(=CC=CC=C1))(CCCC2) |
| Synonyms | 1022422-91-8,
1-phenyl-N-(prop-2-yn-1-yl)cyclopentane-1-carboxamide,
(PHENYLCYCLOPENTYL)-N-PROP-2-YNYLFORMAMIDE,
KS-000027VS,
ZINC2512592,
AKOS022168361,
MS-10111,
AC1MQJRG,
CID3502892,
1-phenyl-N-prop-2-ynyl-cyclopentane-1-carboxamide,
1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.131014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.3g/mol |
| Monoisotopic Mass | 227.131014g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number