chempirical

1-Phenyl-2-pyrrolidinone

C10H11NOCAS 4641-57-0161.20 g/mol

Open in Covalent MOL file
ON
AmideLactam

Properties

Molecular formula
C10H11NO
Molar mass
161.20 g/mol
Exact mass
161.0841 Da
Melting point
68–69 °C
Boiling point
130–140 °C (at 1 Torr)
logP
1.81Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
4641-57-0
SMILES
O=C1CCCN1c1ccccc1
InChIKey
JMVIVASFFKKFQK-UHFFFAOYSA-N
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

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Names and synonyms

6 names
  • 2-Pyrrolidinone, 1-phenyl-
  • N-Phenyl-2-pyrrolidone
  • N-Phenyl-2-pyrrolidinone
  • 1-Phenyl-2-pyrrolidone
  • N-Phenylbutyrolactam
  • NSC 25325

Work with 1-Phenyl-2-pyrrolidinone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(2-Oxo-1-pyrrolidinyl)benzaldehyde36151-45-862 % similar 1-Benzyl-2-pyrrolidinone5291-77-053 % similar Butylacetanilide91-49-649 % similar Centralite85-98-345 % similar Propachlor1918-16-743 % similar 2-Chloro-N-methyl-N-phenylacetamide2620-05-543 % similar 1,3-Dihydro-1-phenyl-2H-indol-2-one3335-98-641 % similar Pyroquilon57369-32-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Ethoxy-1H-indole10501-17-4 5-Methoxy-2-methylindole1076-74-0 1,2,3,4-Tetrahydro-benzo(b)azepin-5-one1127-74-8 4-Phenyl-2-pyrrolidinone1198-97-6 N-Benzylacrylamide13304-62-6 3-(Methylphenylamino)-2-propenal14189-82-3 1-Acetylindoline16078-30-1 2,5,6-Trimethylbenzoxazole19219-98-8

Elsewhere

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