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4641-57-0 | 1-Phenylpyrrolidin-2-one
CAS No: 4641-57-0 Catalog No: AG003EM3 MDL No:MFCD00003192
Product Description
Catalog Number:
AG003EM3
Chemical Name:
1-Phenylpyrrolidin-2-one
CAS Number:
4641-57-0
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD00003192
IUPAC Name:
1-phenylpyrrolidin-2-one
InChI:
InChI=1S/C10H11NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChI Key:
JMVIVASFFKKFQK-UHFFFAOYSA-N
SMILES:
O=C1CCCN1c1ccccc1
EC Number:
225-069-6
NSC Number:
25325
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase. | Journal of medicinal chemistry 20110113 |
| Inhibition of pancreatic adenocarcinoma cellular invasiveness by blebbistatin: a novel myosin II inhibitor. | Biochemical and biophysical research communications 20040123 |
| Acylating agents as enzyme inhibitors and understanding their reactivity for drug design. | Journal of medicinal chemistry 20020620 |
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