4-(6-methyl-3-pyridinyl)cyclohex-3-en-1-one

C12H13NO — CID 83261325

IUPAC4-(6-methyl-3-pyridinyl)cyclohex-3-en-1-one
SMILESCc1ccc(C2=CCC(=O)CC2)cn1
InChIInChI=1S/C12H13NO/c1-9-2-3-11(8-13-9)10-4-6-12(14)7-5-10/h2-4,8H,5-7H2,1H3
InChIKeyKTBJGIFJAFWOQB-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.53
Rot. Bonds1

About 4-(6-methyl-3-pyridinyl)cyclohex-3-en-1-one

4-(6-methyl-3-pyridinyl)cyclohex-3-en-1-one (PubChem CID 83261325) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-(6-methyl-3-pyridinyl)cyclohex-3-en-1-one.

Molecular Properties

Compound Name4-(6-methyl-3-pyridinyl)cyclohex-3-en-1-one
PubChem CID83261325
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name4-(6-methyl-3-pyridinyl)cyclohex-3-en-1-one
SMILESCc1ccc(C2=CCC(=O)CC2)cn1
InChIInChI=1S/C12H13NO/c1-9-2-3-11(8-13-9)10-4-6-12(14)7-5-10/h2-4,8H,5-7H2,1H3
InChIKeyKTBJGIFJAFWOQB-UHFFFAOYSA-N
XLogP2.53
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(6-methyl-3-pyridinyl)cyclohex-3-en-1-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

4-(4-tert-butylphenyl)cyclohex-3-en-1-one
CID 83260999
[4-(4-oxocyclohexen-1-yl)phenyl] carbamate
CID 162263206
1,1-diethoxyethane;ethene;4-pyridin-4-ylcyclohex-3-en-1-one
CID 67933587
4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohex-3-en-1-one
CID 169321154
2-(6-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinoline
CID 59083944
5-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one
CID 104822808
3-methyl-6-[6-(6-methyl-3-pyridinyl)-3-pyridinyl]pyridazine
CID 118345277
5-(6-methyl-3-pyridinyl)pyrimidine
CID 88985866
6-(6-methyl-3-pyridinyl)-1H-pyrazin-2-one
CID 106517757
5-[3-(difluoromethyl)-4-fluorophenyl]-2-methylpyridine
CID 175730479
2,3-dimethyl-6-(6-methyl-3-pyridinyl)pyridine
CID 59083915
2-methyl-5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazole
CID 22899620

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-3-pyridinyl)cyclohex-3-en-1-one?
The IUPAC name of 4-(6-methyl-3-pyridinyl)cyclohex-3-en-1-one (CID 83261325) is 4-(6-methyl-3-pyridinyl)cyclohex-3-en-1-one.
What is the SMILES notation for 4-(6-methyl-3-pyridinyl)cyclohex-3-en-1-one?
The canonical SMILES for 4-(6-methyl-3-pyridinyl)cyclohex-3-en-1-one is Cc1ccc(C2=CCC(=O)CC2)cn1.
What is the InChIKey of 4-(6-methyl-3-pyridinyl)cyclohex-3-en-1-one?
The InChIKey is KTBJGIFJAFWOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-9-2-3-11(8-13-9)10-4-6-12(14)7-5-10/h2-4,8H,5-7H2,1H3.
What are the key properties of 4-(6-methyl-3-pyridinyl)cyclohex-3-en-1-one?
4-(6-methyl-3-pyridinyl)cyclohex-3-en-1-one has a molecular weight of 187.24 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-3-pyridinyl)cyclohex-3-en-1-one is sourced from PubChem (CID 83261325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).