3-(3-methyl-2-pyridinyl)cyclohexan-1-one

C12H15NO — CID 91654565

IUPAC3-(3-methyl-2-pyridinyl)cyclohexan-1-one
SMILESCc1cccnc1C1CCCC(=O)C1
InChIInChI=1S/C12H15NO/c1-9-4-3-7-13-12(9)10-5-2-6-11(14)8-10/h3-4,7,10H,2,5-6,8H2,1H3
InChIKeyBNCWUMAHYSXYHP-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.62
Rot. Bonds1

About 3-(3-methyl-2-pyridinyl)cyclohexan-1-one

3-(3-methyl-2-pyridinyl)cyclohexan-1-one (PubChem CID 91654565) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(3-methyl-2-pyridinyl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(3-methyl-2-pyridinyl)cyclohexan-1-one
PubChem CID91654565
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-(3-methyl-2-pyridinyl)cyclohexan-1-one
SMILESCc1cccnc1C1CCCC(=O)C1
InChIInChI=1S/C12H15NO/c1-9-4-3-7-13-12(9)10-5-2-6-11(14)8-10/h3-4,7,10H,2,5-6,8H2,1H3
InChIKeyBNCWUMAHYSXYHP-UHFFFAOYSA-N
XLogP2.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-pyridinyl)cyclohexan-1-one?
The IUPAC name of 3-(3-methyl-2-pyridinyl)cyclohexan-1-one (CID 91654565) is 3-(3-methyl-2-pyridinyl)cyclohexan-1-one.
What is the SMILES notation for 3-(3-methyl-2-pyridinyl)cyclohexan-1-one?
The canonical SMILES for 3-(3-methyl-2-pyridinyl)cyclohexan-1-one is Cc1cccnc1C1CCCC(=O)C1.
What is the InChIKey of 3-(3-methyl-2-pyridinyl)cyclohexan-1-one?
The InChIKey is BNCWUMAHYSXYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-4-3-7-13-12(9)10-5-2-6-11(14)8-10/h3-4,7,10H,2,5-6,8H2,1H3.
What are the key properties of 3-(3-methyl-2-pyridinyl)cyclohexan-1-one?
3-(3-methyl-2-pyridinyl)cyclohexan-1-one has a molecular weight of 189.26 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-pyridinyl)cyclohexan-1-one is sourced from PubChem (CID 91654565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).