4-ethenyl-1-[2-(1H-indol-3-yl)ethyl]pyrrolidin-2-one

C16H18N2O — CID 168685303

IUPAC4-ethenyl-1-[2-(1H-indol-3-yl)ethyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C16H18N2O/c1-2-12-9-16(19)18(11-12)8-7-13-10-17-15-6-4-3-5-14(13)15/h2-6,10,12,17H,1,7-9,11H2
InChIKeyNNANWILSAKQLGA-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.74
Rot. Bonds4

About 4-ethenyl-1-[2-(1H-indol-3-yl)ethyl]pyrrolidin-2-one

4-ethenyl-1-[2-(1H-indol-3-yl)ethyl]pyrrolidin-2-one (PubChem CID 168685303) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-ethenyl-1-[2-(1H-indol-3-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[2-(1H-indol-3-yl)ethyl]pyrrolidin-2-one
PubChem CID168685303
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-ethenyl-1-[2-(1H-indol-3-yl)ethyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C16H18N2O/c1-2-12-9-16(19)18(11-12)8-7-13-10-17-15-6-4-3-5-14(13)15/h2-6,10,12,17H,1,7-9,11H2
InChIKeyNNANWILSAKQLGA-UHFFFAOYSA-N
XLogP2.74
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-ethenyl-1-[2-(1H-indol-3-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

(3S)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 6967212
1-[2-(1H-benzimidazol-2-yl)ethyl]-4-ethenylpyrrolidin-2-one
CID 168685350
1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 113184900
N-(3,4-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46172106
N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184948
1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113184907
N-(2,3-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184916
(5E)-5-ethylidene-4-(2-hydroxyethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-2-one
CID 50901284
N-(furan-2-ylmethyl)-1-[2-(1H-indol-3-yl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 42882017
methyl (4aS,8aS)-2-[2-(1H-indol-3-yl)ethyl]-3-oxo-1,4,4a,7,8,8a-hexahydroisoquinoline-5-carboxylate
CID 11131923
3-but-3-enyl-1H-indole
CID 57142098
N-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182459

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[2-(1H-indol-3-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[2-(1H-indol-3-yl)ethyl]pyrrolidin-2-one (CID 168685303) is 4-ethenyl-1-[2-(1H-indol-3-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[2-(1H-indol-3-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[2-(1H-indol-3-yl)ethyl]pyrrolidin-2-one is C=CC1CC(=O)N(CCc2c[nH]c3ccccc23)C1.
What is the InChIKey of 4-ethenyl-1-[2-(1H-indol-3-yl)ethyl]pyrrolidin-2-one?
The InChIKey is NNANWILSAKQLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-12-9-16(19)18(11-12)8-7-13-10-17-15-6-4-3-5-14(13)15/h2-6,10,12,17H,1,7-9,11H2.
What are the key properties of 4-ethenyl-1-[2-(1H-indol-3-yl)ethyl]pyrrolidin-2-one?
4-ethenyl-1-[2-(1H-indol-3-yl)ethyl]pyrrolidin-2-one has a molecular weight of 254.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[2-(1H-indol-3-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168685303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).