1-(4-ethenylcyclohexyl)pyrrolidin-2-one

C12H19NO — CID 142812052

IUPAC1-(4-ethenylcyclohexyl)pyrrolidin-2-one
SMILESC=CC1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C12H19NO/c1-2-10-5-7-11(8-6-10)13-9-3-4-12(13)14/h2,10-11H,1,3-9H2
InChIKeyKVSGKQUMUAKXCA-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.35
Rot. Bonds2

About 1-(4-ethenylcyclohexyl)pyrrolidin-2-one

1-(4-ethenylcyclohexyl)pyrrolidin-2-one (PubChem CID 142812052) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(4-ethenylcyclohexyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-ethenylcyclohexyl)pyrrolidin-2-one
PubChem CID142812052
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(4-ethenylcyclohexyl)pyrrolidin-2-one
SMILESC=CC1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C12H19NO/c1-2-10-5-7-11(8-6-10)13-9-3-4-12(13)14/h2,10-11H,1,3-9H2
InChIKeyKVSGKQUMUAKXCA-UHFFFAOYSA-N
XLogP2.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(Cyclohexylmethyl)-4-methylidenepyrrolidin-2-one
CID 138969666
4-Ethenyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
CID 168685129
4-Ethenyl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrrolidin-2-one
CID 168685169
1-(5-Methyl-6-methylidenenonan-2-yl)pyrrolidin-2-one
CID 20657016
1-(4-Methylidenecyclohexyl)pyrrolidin-2-one
CID 58902743
(4S)-4-(2-methylpent-4-enyl)-1-propan-2-ylpyrrolidin-2-one
CID 59109331
1-(2-Cyclohexylethenyl)pyrrolidin-2-one
CID 67565669
cyclohexyl-[(3R)-3-ethenylpyrrolidin-1-yl]methanone
CID 67600688
3-Ethenyl-1-hexylpyrrolidin-2-one
CID 68985602
1-(3-Ethenyl-6-methyl-2-azabicyclo[3.1.0]hexan-2-yl)-3-methylbutan-1-one
CID 123414783
1-(2-Ethenyl-4-ethylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 123446309
1-(2-Ethenyl-3-methylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 123460857

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylcyclohexyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-ethenylcyclohexyl)pyrrolidin-2-one (CID 142812052) is 1-(4-ethenylcyclohexyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-ethenylcyclohexyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-ethenylcyclohexyl)pyrrolidin-2-one is C=CC1CCC(N2CCCC2=O)CC1.
What is the InChIKey of 1-(4-ethenylcyclohexyl)pyrrolidin-2-one?
The InChIKey is KVSGKQUMUAKXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-10-5-7-11(8-6-10)13-9-3-4-12(13)14/h2,10-11H,1,3-9H2.
What are the key properties of 1-(4-ethenylcyclohexyl)pyrrolidin-2-one?
1-(4-ethenylcyclohexyl)pyrrolidin-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylcyclohexyl)pyrrolidin-2-one is sourced from PubChem (CID 142812052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).