4-ethenyl-1-(2-methylcyclohexyl)pyrrolidin-2-one

C13H21NO — CID 168683440

IUPAC4-ethenyl-1-(2-methylcyclohexyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(C2CCCCC2C)C1
InChIInChI=1S/C13H21NO/c1-3-11-8-13(15)14(9-11)12-7-5-4-6-10(12)2/h3,10-12H,1,4-9H2,2H3
InChIKeyDXFOBLNWGSMNBY-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.60
Rot. Bonds2

About 4-ethenyl-1-(2-methylcyclohexyl)pyrrolidin-2-one

4-ethenyl-1-(2-methylcyclohexyl)pyrrolidin-2-one (PubChem CID 168683440) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-ethenyl-1-(2-methylcyclohexyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(2-methylcyclohexyl)pyrrolidin-2-one
PubChem CID168683440
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-ethenyl-1-(2-methylcyclohexyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(C2CCCCC2C)C1
InChIInChI=1S/C13H21NO/c1-3-11-8-13(15)14(9-11)12-7-5-4-6-10(12)2/h3,10-12H,1,4-9H2,2H3
InChIKeyDXFOBLNWGSMNBY-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.60
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

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4-Ethenyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(2-methylcyclohexyl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(2-methylcyclohexyl)pyrrolidin-2-one (CID 168683440) is 4-ethenyl-1-(2-methylcyclohexyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(2-methylcyclohexyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(2-methylcyclohexyl)pyrrolidin-2-one is C=CC1CC(=O)N(C2CCCCC2C)C1.
What is the InChIKey of 4-ethenyl-1-(2-methylcyclohexyl)pyrrolidin-2-one?
The InChIKey is DXFOBLNWGSMNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-11-8-13(15)14(9-11)12-7-5-4-6-10(12)2/h3,10-12H,1,4-9H2,2H3.
What are the key properties of 4-ethenyl-1-(2-methylcyclohexyl)pyrrolidin-2-one?
4-ethenyl-1-(2-methylcyclohexyl)pyrrolidin-2-one has a molecular weight of 207.32 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(2-methylcyclohexyl)pyrrolidin-2-one is sourced from PubChem (CID 168683440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).