2-(1-methyl-2H-pyridin-5-yl)cyclohexan-1-one

C12H17NO — CID 19876124

IUPAC2-(1-methyl-2H-pyridin-5-yl)cyclohexan-1-one
SMILESCN1C=C(C2CCCCC2=O)C=CC1
InChIInChI=1S/C12H17NO/c1-13-8-4-5-10(9-13)11-6-2-3-7-12(11)14/h4-5,9,11H,2-3,6-8H2,1H3
InChIKeyKMLFUMSEHIOOPG-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.13
Rot. Bonds1

About 2-(1-methyl-2H-pyridin-5-yl)cyclohexan-1-one

2-(1-methyl-2H-pyridin-5-yl)cyclohexan-1-one (PubChem CID 19876124) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(1-methyl-2H-pyridin-5-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(1-methyl-2H-pyridin-5-yl)cyclohexan-1-one
PubChem CID19876124
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(1-methyl-2H-pyridin-5-yl)cyclohexan-1-one
SMILESCN1C=C(C2CCCCC2=O)C=CC1
InChIInChI=1S/C12H17NO/c1-13-8-4-5-10(9-13)11-6-2-3-7-12(11)14/h4-5,9,11H,2-3,6-8H2,1H3
InChIKeyKMLFUMSEHIOOPG-UHFFFAOYSA-N
XLogP2.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2H-pyridin-5-yl)cyclohexan-1-one?
The IUPAC name of 2-(1-methyl-2H-pyridin-5-yl)cyclohexan-1-one (CID 19876124) is 2-(1-methyl-2H-pyridin-5-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(1-methyl-2H-pyridin-5-yl)cyclohexan-1-one?
The canonical SMILES for 2-(1-methyl-2H-pyridin-5-yl)cyclohexan-1-one is CN1C=C(C2CCCCC2=O)C=CC1.
What is the InChIKey of 2-(1-methyl-2H-pyridin-5-yl)cyclohexan-1-one?
The InChIKey is KMLFUMSEHIOOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-13-8-4-5-10(9-13)11-6-2-3-7-12(11)14/h4-5,9,11H,2-3,6-8H2,1H3.
What are the key properties of 2-(1-methyl-2H-pyridin-5-yl)cyclohexan-1-one?
2-(1-methyl-2H-pyridin-5-yl)cyclohexan-1-one has a molecular weight of 191.27 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2H-pyridin-5-yl)cyclohexan-1-one is sourced from PubChem (CID 19876124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).