4-ethenyl-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one

C11H15N3O — CID 168685338

IUPAC4-ethenyl-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCc2cnc[nH]2)C1
InChIInChI=1S/C11H15N3O/c1-2-9-5-11(15)14(7-9)4-3-10-6-12-8-13-10/h2,6,8-9H,1,3-5,7H2,(H,12,13)
InChIKeyCGMAUCDIEKLLJC-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.99
Rot. Bonds4

About 4-ethenyl-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one

4-ethenyl-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one (PubChem CID 168685338) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-ethenyl-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one
PubChem CID168685338
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4-ethenyl-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCc2cnc[nH]2)C1
InChIInChI=1S/C11H15N3O/c1-2-9-5-11(15)14(7-9)4-3-10-6-12-8-13-10/h2,6,8-9H,1,3-5,7H2,(H,12,13)
InChIKeyCGMAUCDIEKLLJC-UHFFFAOYSA-N
XLogP0.99
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethenyl-1-[2-(1H-imidazol-5-yl)ethyl]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

4-(hydroxymethyl)-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one
CID 168663120
(4aS,9aR)-7-[2-(1H-imidazol-5-yl)ethyl]-6-oxo-N-prop-2-enyl-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepine-2-carboxamide
CID 26742644
4-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one
CID 168685259
4-ethenyl-1-[2-(1H-indol-6-yl)ethyl]pyrrolidin-2-one
CID 168685309
4-ethenyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168685234
(3R)-3-ethenyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-1-carboxamide
CID 126446909
1-(3,5-dibromo-4-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168685536
1-[3-(azepan-1-yl)propyl]-4-ethenylpyrrolidin-2-one
CID 168685223
4-ethenyl-1-[2-(oxan-4-yl)ethyl]pyrrolidin-2-one
CID 168685200
5-amino-4-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 168686244
N-[1-[2-(1H-imidazol-5-yl)ethyl]-2,5-dioxopyrrolidin-3-yl]acetamide
CID 129303268
4-(1H-imidazol-5-ylmethylamino)-1-methylpyrrolidin-2-one
CID 130804951

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one (CID 168685338) is 4-ethenyl-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one is C=CC1CC(=O)N(CCc2cnc[nH]2)C1.
What is the InChIKey of 4-ethenyl-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one?
The InChIKey is CGMAUCDIEKLLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-9-5-11(15)14(7-9)4-3-10-6-12-8-13-10/h2,6,8-9H,1,3-5,7H2,(H,12,13).
What are the key properties of 4-ethenyl-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one?
4-ethenyl-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168685338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).