1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one

C14H15NO3 — CID 139699815

IUPAC1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one
SMILESCOc1ccc(C=CC(=O)N2CCCC2=O)cc1
InChIInChI=1S/C14H15NO3/c1-18-12-7-4-11(5-8-12)6-9-14(17)15-10-2-3-13(15)16/h4-9H,2-3,10H2,1H3
InChIKeyZOZBLVYNAYBARF-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.86
Rot. Bonds3

About 1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one

1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one (PubChem CID 139699815) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one
PubChem CID139699815
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one
SMILESCOc1ccc(C=CC(=O)N2CCCC2=O)cc1
InChIInChI=1S/C14H15NO3/c1-18-12-7-4-11(5-8-12)6-9-14(17)15-10-2-3-13(15)16/h4-9H,2-3,10H2,1H3
InChIKeyZOZBLVYNAYBARF-UHFFFAOYSA-N
XLogP1.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(4-methoxyphenyl)prop-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

Aniracetam
CID 2196
1-(2-(4-methoxyphenyl)ethyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 2392392
Tmppaa
CID 889955
1-(m-Methoxycinnamoyl)pyrrolidine
CID 5373710
(2E)-3-(3,4-dimethoxyphenyl)-1-(pyrrolidin-1-yl)prop-2-en-1-one
CID 1537537
1-((4-Methoxyphenyl)methyl)-1H-pyrrole-2,5-dione
CID 2737837
(2E)-1-(4-ethylpiperazinyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 5826833
5-methoxy-1-(4-methoxybenzyl)-3,4-dimethyl-1,5-dihydro-2H-pyrrol-2-one
CID 23724295
(E)-N,N-dicyclohexyl-3-(4-methoxy-phenyl)-acrylamide
CID 5853474
Piperlotine A
CID 773630
Piperovatine
CID 5374352
3-[5-(4-Methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoic acid
CID 1940556

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one (CID 139699815) is 1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one is COc1ccc(C=CC(=O)N2CCCC2=O)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one?
The InChIKey is ZOZBLVYNAYBARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-18-12-7-4-11(5-8-12)6-9-14(17)15-10-2-3-13(15)16/h4-9H,2-3,10H2,1H3.
What are the key properties of 1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one?
1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one has a molecular weight of 245.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one is sourced from PubChem (CID 139699815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).