1-(4-methoxybenzoyl)-4-phenylpyrrolidin-2-one

C18H17NO3 — CID 3537198

IUPAC1-(4-methoxybenzoyl)-4-phenylpyrrolidin-2-one
SMILESCOc1ccc(C(=O)N2CC(c3ccccc3)CC2=O)cc1
InChIInChI=1S/C18H17NO3/c1-22-16-9-7-14(8-10-16)18(21)19-12-15(11-17(19)20)13-5-3-2-4-6-13/h2-10,15H,11-12H2,1H3
InChIKeyKVSCGHAHMLVAMI-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.85
Rot. Bonds3

About 1-(4-methoxybenzoyl)-4-phenylpyrrolidin-2-one

1-(4-methoxybenzoyl)-4-phenylpyrrolidin-2-one (PubChem CID 3537198) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-(4-methoxybenzoyl)-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methoxybenzoyl)-4-phenylpyrrolidin-2-one
PubChem CID3537198
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name1-(4-methoxybenzoyl)-4-phenylpyrrolidin-2-one
SMILESCOc1ccc(C(=O)N2CC(c3ccccc3)CC2=O)cc1
InChIInChI=1S/C18H17NO3/c1-22-16-9-7-14(8-10-16)18(21)19-12-15(11-17(19)20)13-5-3-2-4-6-13/h2-10,15H,11-12H2,1H3
InChIKeyKVSCGHAHMLVAMI-UHFFFAOYSA-N
XLogP2.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-benzoyl-4-(3,4-dimethoxyphenyl)pyrrolidin-2-one
CID 14537163
1-(4-nitrobenzoyl)-4-phenylpyrrolidin-2-one
CID 4171984
4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 18361933
4-methoxy-N-[4-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-2-pyridinyl]benzamide
CID 124636540
ethyl (3R,4S)-1-(4-methoxybenzoyl)-2-oxo-4-phenylpyrrolidine-3-carboxylate
CID 1379104
(3R)-1-(4-methoxybenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 124609676
1-acetyl-3-(4-methoxybenzoyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexan-2-one
CID 134832544
4-(4-methoxybenzoyl)-1-methyl-3H-quinoxalin-2-one
CID 110669554
(4R)-1-(4-methoxyphenyl)-4-phenylpiperidin-2-one
CID 122401830
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
(4-methoxyphenyl)-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)methanone
CID 110740536
(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332417

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybenzoyl)-4-phenylpyrrolidin-2-one?
The IUPAC name of 1-(4-methoxybenzoyl)-4-phenylpyrrolidin-2-one (CID 3537198) is 1-(4-methoxybenzoyl)-4-phenylpyrrolidin-2-one.
What is the SMILES notation for 1-(4-methoxybenzoyl)-4-phenylpyrrolidin-2-one?
The canonical SMILES for 1-(4-methoxybenzoyl)-4-phenylpyrrolidin-2-one is COc1ccc(C(=O)N2CC(c3ccccc3)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxybenzoyl)-4-phenylpyrrolidin-2-one?
The InChIKey is KVSCGHAHMLVAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-22-16-9-7-14(8-10-16)18(21)19-12-15(11-17(19)20)13-5-3-2-4-6-13/h2-10,15H,11-12H2,1H3.
What are the key properties of 1-(4-methoxybenzoyl)-4-phenylpyrrolidin-2-one?
1-(4-methoxybenzoyl)-4-phenylpyrrolidin-2-one has a molecular weight of 295.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybenzoyl)-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 3537198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).