4-(4-acetylphenyl)pyrrolidin-2-one

C12H13NO2 — CID 53417765

IUPAC4-(4-acetylphenyl)pyrrolidin-2-one
SMILESCC(=O)c1ccc(C2CNC(=O)C2)cc1
InChIInChI=1S/C12H13NO2/c1-8(14)9-2-4-10(5-3-9)11-6-12(15)13-7-11/h2-5,11H,6-7H2,1H3,(H,13,15)
InChIKeyHRCSTVIOTLPKHK-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.49
Rot. Bonds2

About 4-(4-acetylphenyl)pyrrolidin-2-one

4-(4-acetylphenyl)pyrrolidin-2-one (PubChem CID 53417765) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-(4-acetylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-acetylphenyl)pyrrolidin-2-one
PubChem CID53417765
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4-(4-acetylphenyl)pyrrolidin-2-one
SMILESCC(=O)c1ccc(C2CNC(=O)C2)cc1
InChIInChI=1S/C12H13NO2/c1-8(14)9-2-4-10(5-3-9)11-6-12(15)13-7-11/h2-5,11H,6-7H2,1H3,(H,13,15)
InChIKeyHRCSTVIOTLPKHK-UHFFFAOYSA-N
XLogP1.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-oxopyrrolidin-3-yl)benzoic acid
CID 82609571
(4R)-4-(4-acetyl-2-methylphenyl)pyrrolidin-2-one
CID 124634493
4-(4-cyclopropylphenyl)pyrrolidin-2-one
CID 79978170
(4S)-4-(4-acetyl-3-fluorophenyl)pyrrolidin-2-one
CID 124634504
4-phenylpyrrolidin-2-one;hydrate
CID 171699854
(4R)-4-(4-chlorophenyl)pyrrolidin-2-one;formic acid
CID 142352390
4-[2-chloro-5-[(3R)-5-oxopyrrolidin-3-yl]phenyl]benzoic acid
CID 66725141
(4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 71742226
1-[4-(aziridin-2-yl)phenyl]ethanone
CID 138489509
1-(4-piperidin-3-ylphenyl)ethanone
CID 83404173
(4R)-4-(4-bromophenyl)pyrrolidin-2-one;methyl formate
CID 142352445
(4S)-4-(4-chloro-3-methylphenyl)pyrrolidin-2-one
CID 124634608

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(4-acetylphenyl)pyrrolidin-2-one (CID 53417765) is 4-(4-acetylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-acetylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-acetylphenyl)pyrrolidin-2-one is CC(=O)c1ccc(C2CNC(=O)C2)cc1.
What is the InChIKey of 4-(4-acetylphenyl)pyrrolidin-2-one?
The InChIKey is HRCSTVIOTLPKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8(14)9-2-4-10(5-3-9)11-6-12(15)13-7-11/h2-5,11H,6-7H2,1H3,(H,13,15).
What are the key properties of 4-(4-acetylphenyl)pyrrolidin-2-one?
4-(4-acetylphenyl)pyrrolidin-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 53417765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).