2-(4-methyl-3-pyridinyl)cyclohex-2-en-1-one

C12H13NO — CID 130518036

IUPAC2-(4-methyl-3-pyridinyl)cyclohex-2-en-1-one
SMILESCc1ccncc1C1=CCCCC1=O
InChIInChI=1S/C12H13NO/c1-9-6-7-13-8-11(9)10-4-2-3-5-12(10)14/h4,6-8H,2-3,5H2,1H3
InChIKeyIKLDTXQBUCDWRJ-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.53
Rot. Bonds1

About 2-(4-methyl-3-pyridinyl)cyclohex-2-en-1-one

2-(4-methyl-3-pyridinyl)cyclohex-2-en-1-one (PubChem CID 130518036) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(4-methyl-3-pyridinyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(4-methyl-3-pyridinyl)cyclohex-2-en-1-one
PubChem CID130518036
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-(4-methyl-3-pyridinyl)cyclohex-2-en-1-one
SMILESCc1ccncc1C1=CCCCC1=O
InChIInChI=1S/C12H13NO/c1-9-6-7-13-8-11(9)10-4-2-3-5-12(10)14/h4,6-8H,2-3,5H2,1H3
InChIKeyIKLDTXQBUCDWRJ-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

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Related Compounds

2-(2,4-dimethylphenyl)cyclohex-2-en-1-one
CID 130517989
3-(4-methyl-3-pyridinyl)cyclohex-2-en-1-one
CID 22758242
methyl 8-(4-methyl-3-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate
CID 58407462
7,8-dihydro-6H-isoquinolin-5-one;hydrochloride
CID 23157166
4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;dihydrochloride
CID 71758030
2-(4-methyl-3-pyridinyl)-1,3-thiazol-4-one
CID 126975818
3-(3-chlorocyclopenten-1-yl)-4-methylpyridine
CID 66273391
1-[4-(4-methyl-3-pyridinyl)phenyl]piperidin-2-one
CID 129218927
2-(4-methoxy-2-nitrophenyl)cyclohex-2-en-1-one
CID 11368611
6-(4-methyl-3-pyridinyl)-1H-pyrimidin-2-one
CID 106518941
2-(cyclohexen-1-yl)cyclohex-2-en-1-one
CID 122375169
cyclohexen-1-yl-(4-methyl-3-pyridinyl)methanamine
CID 106654753

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-pyridinyl)cyclohex-2-en-1-one?
The IUPAC name of 2-(4-methyl-3-pyridinyl)cyclohex-2-en-1-one (CID 130518036) is 2-(4-methyl-3-pyridinyl)cyclohex-2-en-1-one.
What is the SMILES notation for 2-(4-methyl-3-pyridinyl)cyclohex-2-en-1-one?
The canonical SMILES for 2-(4-methyl-3-pyridinyl)cyclohex-2-en-1-one is Cc1ccncc1C1=CCCCC1=O.
What is the InChIKey of 2-(4-methyl-3-pyridinyl)cyclohex-2-en-1-one?
The InChIKey is IKLDTXQBUCDWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-9-6-7-13-8-11(9)10-4-2-3-5-12(10)14/h4,6-8H,2-3,5H2,1H3.
What are the key properties of 2-(4-methyl-3-pyridinyl)cyclohex-2-en-1-one?
2-(4-methyl-3-pyridinyl)cyclohex-2-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 2-(4-methyl-3-pyridinyl)cyclohex-2-en-1-one is sourced from PubChem (CID 130518036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).