1-benzoyl-4-(3,4-dimethoxyphenyl)pyrrolidin-2-one

C19H19NO4 — CID 14537163

IUPAC1-benzoyl-4-(3,4-dimethoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C2CC(=O)N(C(=O)c3ccccc3)C2)cc1OC
InChIInChI=1S/C19H19NO4/c1-23-16-9-8-14(10-17(16)24-2)15-11-18(21)20(12-15)19(22)13-6-4-3-5-7-13/h3-10,15H,11-12H2,1-2H3
InChIKeyHFUCOPVFORARRN-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.86
Rot. Bonds4

About 1-benzoyl-4-(3,4-dimethoxyphenyl)pyrrolidin-2-one

1-benzoyl-4-(3,4-dimethoxyphenyl)pyrrolidin-2-one (PubChem CID 14537163) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 1-benzoyl-4-(3,4-dimethoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzoyl-4-(3,4-dimethoxyphenyl)pyrrolidin-2-one
PubChem CID14537163
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name1-benzoyl-4-(3,4-dimethoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C2CC(=O)N(C(=O)c3ccccc3)C2)cc1OC
InChIInChI=1S/C19H19NO4/c1-23-16-9-8-14(10-17(16)24-2)15-11-18(21)20(12-15)19(22)13-6-4-3-5-7-13/h3-10,15H,11-12H2,1-2H3
InChIKeyHFUCOPVFORARRN-UHFFFAOYSA-N
XLogP2.86
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxybenzoyl)-4-phenylpyrrolidin-2-one
CID 3537198
4-(3,4-dimethoxyphenyl)-2-oxo-N-propylpyrrolidine-1-carboxamide
CID 70609654
N-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzamide
CID 144706065
1-(4-nitrobenzoyl)-4-phenylpyrrolidin-2-one
CID 4171984
[(3R)-3,5-bis(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 41068474
4-[1-(4-benzamidophenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid
CID 70366402
4-amino-1-benzoylpyrrolidin-2-one
CID 112534683
(4-amino-6-methoxy-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl)-phenylmethanone
CID 15712470
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
1-benzoyl-6-methoxy-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one
CID 15712466
[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 42936298
4-[1-(2,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid
CID 70366410

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-4-(3,4-dimethoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 1-benzoyl-4-(3,4-dimethoxyphenyl)pyrrolidin-2-one (CID 14537163) is 1-benzoyl-4-(3,4-dimethoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-benzoyl-4-(3,4-dimethoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-benzoyl-4-(3,4-dimethoxyphenyl)pyrrolidin-2-one is COc1ccc(C2CC(=O)N(C(=O)c3ccccc3)C2)cc1OC.
What is the InChIKey of 1-benzoyl-4-(3,4-dimethoxyphenyl)pyrrolidin-2-one?
The InChIKey is HFUCOPVFORARRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-23-16-9-8-14(10-17(16)24-2)15-11-18(21)20(12-15)19(22)13-6-4-3-5-7-13/h3-10,15H,11-12H2,1-2H3.
What are the key properties of 1-benzoyl-4-(3,4-dimethoxyphenyl)pyrrolidin-2-one?
1-benzoyl-4-(3,4-dimethoxyphenyl)pyrrolidin-2-one has a molecular weight of 325.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-4-(3,4-dimethoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 14537163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).