1-(cyclohexylmethyl)-4-methylidenepyrrolidin-2-one

C12H19NO — CID 138969666

IUPAC1-(cyclohexylmethyl)-4-methylidenepyrrolidin-2-one
SMILESC=C1CC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C12H19NO/c1-10-7-12(14)13(8-10)9-11-5-3-2-4-6-11/h11H,1-9H2
InChIKeyKELONMLBCSDDPQ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.36
Rot. Bonds2

About 1-(cyclohexylmethyl)-4-methylidenepyrrolidin-2-one

1-(cyclohexylmethyl)-4-methylidenepyrrolidin-2-one (PubChem CID 138969666) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-methylidenepyrrolidin-2-one
PubChem CID138969666
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(cyclohexylmethyl)-4-methylidenepyrrolidin-2-one
SMILESC=C1CC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C12H19NO/c1-10-7-12(14)13(8-10)9-11-5-3-2-4-6-11/h11H,1-9H2
InChIKeyKELONMLBCSDDPQ-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
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

2-Pyrrolidinone, 1-(cyclohexylmethyl)-
CID 11805366
(2-Fluoro-4-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone
CID 91216241
1-Cyclohexyl-4-methylidenepyrrolidin-2-one
CID 138969229
1-(5-Methyl-6-methylidenenonan-2-yl)pyrrolidin-2-one
CID 20657016
1-(2-Ethylhexyl)-3-methylidenepyrrolidine-2,5-dione
CID 22245524
(3S)-1-ethyl-3-(3-methylbut-3-enyl)pyrrolidin-2-one
CID 54259302
1-(Cyclohexylmethyl)-3-methylidenepyrrolidin-2-one
CID 57270156
1-(2-Cyclohexylethenyl)pyrrolidin-2-one
CID 67565669
cyclohexyl-[(3R)-3-ethenylpyrrolidin-1-yl]methanone
CID 67600688
(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene;1-methylpyrrolidin-2-one
CID 69765163
(3-Methylidenecyclohexyl)-pyrrolidin-1-ylmethanone
CID 90771932
2-(3-Methylidenecyclohexyl)-1-pyrrolidin-1-ylethanone
CID 91156199

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-methylidenepyrrolidin-2-one?
The IUPAC name of 1-(cyclohexylmethyl)-4-methylidenepyrrolidin-2-one (CID 138969666) is 1-(cyclohexylmethyl)-4-methylidenepyrrolidin-2-one.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-methylidenepyrrolidin-2-one?
The canonical SMILES for 1-(cyclohexylmethyl)-4-methylidenepyrrolidin-2-one is C=C1CC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-methylidenepyrrolidin-2-one?
The InChIKey is KELONMLBCSDDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-7-12(14)13(8-10)9-11-5-3-2-4-6-11/h11H,1-9H2.
What are the key properties of 1-(cyclohexylmethyl)-4-methylidenepyrrolidin-2-one?
1-(cyclohexylmethyl)-4-methylidenepyrrolidin-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-methylidenepyrrolidin-2-one is sourced from PubChem (CID 138969666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).