1-[(1S)-1-cyclohexylethyl]-4-ethenylpyrrolidin-2-one

C14H23NO — CID 168683667

IUPAC1-[(1S)-1-cyclohexylethyl]-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N([C@@H](C)C2CCCCC2)C1
InChIInChI=1S/C14H23NO/c1-3-12-9-14(16)15(10-12)11(2)13-7-5-4-6-8-13/h3,11-13H,1,4-10H2,2H3/t11-,12?/m0/s1
InChIKeyZCXCQFXTQKNBFB-PXYINDEMSA-N
MW221.34 g/mol
LogP2.99
Rot. Bonds3

About 1-[(1S)-1-cyclohexylethyl]-4-ethenylpyrrolidin-2-one

1-[(1S)-1-cyclohexylethyl]-4-ethenylpyrrolidin-2-one (PubChem CID 168683667) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-[(1S)-1-cyclohexylethyl]-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(1S)-1-cyclohexylethyl]-4-ethenylpyrrolidin-2-one
PubChem CID168683667
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-[(1S)-1-cyclohexylethyl]-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N([C@@H](C)C2CCCCC2)C1
InChIInChI=1S/C14H23NO/c1-3-12-9-14(16)15(10-12)11(2)13-7-5-4-6-8-13/h3,11-13H,1,4-10H2,2H3/t11-,12?/m0/s1
InChIKeyZCXCQFXTQKNBFB-PXYINDEMSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(1S)-1-cyclohexylethyl]-4-ethenylpyrrolidin-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

S-[1-(1-cyclohexylethyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168704281
(2S)-2-cyclopropyl-2-(4-ethenyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168683792
1-[5-(diethylamino)pentan-2-yl]-4-ethenylpyrrolidin-2-one
CID 168683630
4-ethenyl-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one
CID 168683642
3-cyclopropyl-3-(4-ethenyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168683709
1-[1-(3,4-dichlorophenyl)ethyl]-4-ethenylpyrrolidin-2-one
CID 168683556
(2S)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid
CID 168683478
1-(1-cyclohexylethyl)piperidine-2,4-dione
CID 79516160
(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbaldehyde
CID 97182050
1-[(1S,2S)-2-aminocyclohexyl]-4-ethenylpyrrolidin-2-one
CID 168683470
4-ethenyl-1-[1-(2-ethoxyphenyl)ethyl]pyrrolidin-2-one
CID 168683636
4-ethenyl-1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrrolidin-2-one
CID 168683551

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-cyclohexylethyl]-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-[(1S)-1-cyclohexylethyl]-4-ethenylpyrrolidin-2-one (CID 168683667) is 1-[(1S)-1-cyclohexylethyl]-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-[(1S)-1-cyclohexylethyl]-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-[(1S)-1-cyclohexylethyl]-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N([C@@H](C)C2CCCCC2)C1.
What is the InChIKey of 1-[(1S)-1-cyclohexylethyl]-4-ethenylpyrrolidin-2-one?
The InChIKey is ZCXCQFXTQKNBFB-PXYINDEMSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-12-9-14(16)15(10-12)11(2)13-7-5-4-6-8-13/h3,11-13H,1,4-10H2,2H3/t11-,12?/m0/s1.
What are the key properties of 1-[(1S)-1-cyclohexylethyl]-4-ethenylpyrrolidin-2-one?
1-[(1S)-1-cyclohexylethyl]-4-ethenylpyrrolidin-2-one has a molecular weight of 221.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-cyclohexylethyl]-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168683667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).