6-(2-cyclohex-3-en-1-ylethyl)-1,4-dimethylpyridin-2-one

C15H21NO — CID 135058426

IUPAC6-(2-cyclohex-3-en-1-ylethyl)-1,4-dimethylpyridin-2-one
SMILESCc1cc(CCC2CC=CCC2)n(C)c(=O)c1
InChIInChI=1S/C15H21NO/c1-12-10-14(16(2)15(17)11-12)9-8-13-6-4-3-5-7-13/h3-4,10-11,13H,5-9H2,1-2H3
InChIKeyIPAXUUZDPJRKID-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.98
Rot. Bonds3

About 6-(2-cyclohex-3-en-1-ylethyl)-1,4-dimethylpyridin-2-one

6-(2-cyclohex-3-en-1-ylethyl)-1,4-dimethylpyridin-2-one (PubChem CID 135058426) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 6-(2-cyclohex-3-en-1-ylethyl)-1,4-dimethylpyridin-2-one.

Molecular Properties

Compound Name6-(2-cyclohex-3-en-1-ylethyl)-1,4-dimethylpyridin-2-one
PubChem CID135058426
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name6-(2-cyclohex-3-en-1-ylethyl)-1,4-dimethylpyridin-2-one
SMILESCc1cc(CCC2CC=CCC2)n(C)c(=O)c1
InChIInChI=1S/C15H21NO/c1-12-10-14(16(2)15(17)11-12)9-8-13-6-4-3-5-7-13/h3-4,10-11,13H,5-9H2,1-2H3
InChIKeyIPAXUUZDPJRKID-UHFFFAOYSA-N
XLogP2.98
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclohex-3-en-1-ylethyl)-1,4-dimethylpyridin-2-one?
The IUPAC name of 6-(2-cyclohex-3-en-1-ylethyl)-1,4-dimethylpyridin-2-one (CID 135058426) is 6-(2-cyclohex-3-en-1-ylethyl)-1,4-dimethylpyridin-2-one.
What is the SMILES notation for 6-(2-cyclohex-3-en-1-ylethyl)-1,4-dimethylpyridin-2-one?
The canonical SMILES for 6-(2-cyclohex-3-en-1-ylethyl)-1,4-dimethylpyridin-2-one is Cc1cc(CCC2CC=CCC2)n(C)c(=O)c1.
What is the InChIKey of 6-(2-cyclohex-3-en-1-ylethyl)-1,4-dimethylpyridin-2-one?
The InChIKey is IPAXUUZDPJRKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-10-14(16(2)15(17)11-12)9-8-13-6-4-3-5-7-13/h3-4,10-11,13H,5-9H2,1-2H3.
What are the key properties of 6-(2-cyclohex-3-en-1-ylethyl)-1,4-dimethylpyridin-2-one?
6-(2-cyclohex-3-en-1-ylethyl)-1,4-dimethylpyridin-2-one has a molecular weight of 231.34 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclohex-3-en-1-ylethyl)-1,4-dimethylpyridin-2-one is sourced from PubChem (CID 135058426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).