1-benzoyl-3-methylidene-5-phenylpyrrolidin-2-one

C18H15NO2 — CID 101438685

IUPAC1-benzoyl-3-methylidene-5-phenylpyrrolidin-2-one
SMILESC=C1CC(c2ccccc2)N(C(=O)c2ccccc2)C1=O
InChIInChI=1S/C18H15NO2/c1-13-12-16(14-8-4-2-5-9-14)19(17(13)20)18(21)15-10-6-3-7-11-15/h2-11,16H,1,12H2
InChIKeyWWRDVOHLUZYAJO-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.36
Rot. Bonds2

About 1-benzoyl-3-methylidene-5-phenylpyrrolidin-2-one

1-benzoyl-3-methylidene-5-phenylpyrrolidin-2-one (PubChem CID 101438685) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-benzoyl-3-methylidene-5-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-benzoyl-3-methylidene-5-phenylpyrrolidin-2-one
PubChem CID101438685
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name1-benzoyl-3-methylidene-5-phenylpyrrolidin-2-one
SMILESC=C1CC(c2ccccc2)N(C(=O)c2ccccc2)C1=O
InChIInChI=1S/C18H15NO2/c1-13-12-16(14-8-4-2-5-9-14)19(17(13)20)18(21)15-10-6-3-7-11-15/h2-11,16H,1,12H2
InChIKeyWWRDVOHLUZYAJO-UHFFFAOYSA-N
XLogP3.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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2,6-dibenzoyl-1,5-diphenyl-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione
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CID 4069484
[(2S,3R)-2-methyl-3-phenylaziridin-1-yl]-phenylmethanone
CID 12739484
[(1S,5R)-2-methylidene-9-azabicyclo[3.3.1]nonan-9-yl]-phenylmethanone
CID 10977597
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
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1-benzoyl-2-phenylpyrrolidin-3-one
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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-3-methylidene-5-phenylpyrrolidin-2-one?
The IUPAC name of 1-benzoyl-3-methylidene-5-phenylpyrrolidin-2-one (CID 101438685) is 1-benzoyl-3-methylidene-5-phenylpyrrolidin-2-one.
What is the SMILES notation for 1-benzoyl-3-methylidene-5-phenylpyrrolidin-2-one?
The canonical SMILES for 1-benzoyl-3-methylidene-5-phenylpyrrolidin-2-one is C=C1CC(c2ccccc2)N(C(=O)c2ccccc2)C1=O.
What is the InChIKey of 1-benzoyl-3-methylidene-5-phenylpyrrolidin-2-one?
The InChIKey is WWRDVOHLUZYAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-13-12-16(14-8-4-2-5-9-14)19(17(13)20)18(21)15-10-6-3-7-11-15/h2-11,16H,1,12H2.
What are the key properties of 1-benzoyl-3-methylidene-5-phenylpyrrolidin-2-one?
1-benzoyl-3-methylidene-5-phenylpyrrolidin-2-one has a molecular weight of 277.32 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-3-methylidene-5-phenylpyrrolidin-2-one is sourced from PubChem (CID 101438685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).