1-[(E)-3-phenylpent-2-enoyl]pyrrolidin-2-one

C15H17NO2 — CID 13001699

IUPAC1-[(E)-3-phenylpent-2-enoyl]pyrrolidin-2-one
SMILESCC/C(=C\C(=O)N1CCCC1=O)c1ccccc1
InChIInChI=1S/C15H17NO2/c1-2-12(13-7-4-3-5-8-13)11-15(18)16-10-6-9-14(16)17/h3-5,7-8,11H,2,6,9-10H2,1H3/b12-11+
InChIKeyVFWWZKDWZSKHHU-VAWYXSNFSA-N
MW243.31 g/mol
LogP2.63
Rot. Bonds3

About 1-[(E)-3-phenylpent-2-enoyl]pyrrolidin-2-one

1-[(E)-3-phenylpent-2-enoyl]pyrrolidin-2-one (PubChem CID 13001699) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[(E)-3-phenylpent-2-enoyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(E)-3-phenylpent-2-enoyl]pyrrolidin-2-one
PubChem CID13001699
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-[(E)-3-phenylpent-2-enoyl]pyrrolidin-2-one
SMILESCC/C(=C\C(=O)N1CCCC1=O)c1ccccc1
InChIInChI=1S/C15H17NO2/c1-2-12(13-7-4-3-5-8-13)11-15(18)16-10-6-9-14(16)17/h3-5,7-8,11H,2,6,9-10H2,1H3/b12-11+
InChIKeyVFWWZKDWZSKHHU-VAWYXSNFSA-N
XLogP2.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(E)-3-phenylpent-2-enoyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-phenyl-1-pyrrolidin-1-ylpent-2-en-1-one
CID 110297176
methyl (E)-3-(2-oxopyrrolidin-1-yl)-3-phenylprop-2-enoate
CID 139041263
1-[(4Z)-5-phenylhepta-1,4-dien-4-yl]pyrrolidin-2-one
CID 132821455
1-[3-(4-methylphenyl)pent-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 126807476
1-(2-oxopiperidin-1-yl)-2-phenylethane-1,2-dione
CID 14228168
1-(2-phenylacetyl)pyrrolidin-2-one
CID 13011419
(E)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)pent-2-en-1-one
CID 110297208
4-[(E)-1-carboxybut-1-en-2-yl]benzoic acid
CID 83959454
S-[2-(2-oxopyrrolidin-1-yl)ethyl] benzenecarbothioate
CID 22436531
2-oxo-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 12884396
(E)-3-[4-(pyrrolidine-1-carbonyl)phenyl]pent-2-enoic acid
CID 83959554
2-oxopyrrolidine-1-carboxylic acid;zinc
CID 174972169

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylpent-2-enoyl]pyrrolidin-2-one?
The IUPAC name of 1-[(E)-3-phenylpent-2-enoyl]pyrrolidin-2-one (CID 13001699) is 1-[(E)-3-phenylpent-2-enoyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(E)-3-phenylpent-2-enoyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(E)-3-phenylpent-2-enoyl]pyrrolidin-2-one is CC/C(=C\C(=O)N1CCCC1=O)c1ccccc1.
What is the InChIKey of 1-[(E)-3-phenylpent-2-enoyl]pyrrolidin-2-one?
The InChIKey is VFWWZKDWZSKHHU-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-12(13-7-4-3-5-8-13)11-15(18)16-10-6-9-14(16)17/h3-5,7-8,11H,2,6,9-10H2,1H3/b12-11+.
What are the key properties of 1-[(E)-3-phenylpent-2-enoyl]pyrrolidin-2-one?
1-[(E)-3-phenylpent-2-enoyl]pyrrolidin-2-one has a molecular weight of 243.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylpent-2-enoyl]pyrrolidin-2-one is sourced from PubChem (CID 13001699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).