2-(2-pyridin-2-ylethyl)cyclohexan-1-one

C13H17NO — CID 12813906

IUPAC2-(2-pyridin-2-ylethyl)cyclohexan-1-one
SMILESO=C1CCCCC1CCc1ccccn1
InChIInChI=1S/C13H17NO/c15-13-7-2-1-5-11(13)8-9-12-6-3-4-10-14-12/h3-4,6,10-11H,1-2,5,7-9H2
InChIKeyNRPYWWKSGYCVSF-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.77
Rot. Bonds3

About 2-(2-pyridin-2-ylethyl)cyclohexan-1-one

2-(2-pyridin-2-ylethyl)cyclohexan-1-one (PubChem CID 12813906) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(2-pyridin-2-ylethyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(2-pyridin-2-ylethyl)cyclohexan-1-one
PubChem CID12813906
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name2-(2-pyridin-2-ylethyl)cyclohexan-1-one
SMILESO=C1CCCCC1CCc1ccccn1
InChIInChI=1S/C13H17NO/c15-13-7-2-1-5-11(13)8-9-12-6-3-4-10-14-12/h3-4,6,10-11H,1-2,5,7-9H2
InChIKeyNRPYWWKSGYCVSF-UHFFFAOYSA-N
XLogP2.77
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-pyridin-2-ylethyl)piperidin-2-one
CID 104679210
2-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopentan-1-one
CID 62612535
2-(3-phenylpropyl)cyclotetradecan-1-one
CID 140989755
2-(2-thiophen-2-ylethyl)cyclohexan-1-one
CID 63773659
2-(2-pyridin-3-ylethyl)cyclopentan-1-one
CID 79429572
1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 571854
2-[2-(2-phenylethoxy)ethyl]cyclohexan-1-one
CID 141155106
tert-butyl 2-[4-oxo-3-(2-pyridin-2-ylethyl)piperidin-1-yl]acetate
CID 139707140
6-(2-pyridin-2-ylethyl)-1,4,8,11-tetrazacyclotetradecane-5,7,12-trione
CID 23422503
2-(3-oxo-3-phenylpropyl)cyclohexan-1-one
CID 2751330
2-(3-oxo-3-phenylpropyl)cycloheptan-1-one
CID 10824211
2-(2-phenylmethoxyethyl)cyclohexan-1-one
CID 561952

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-ylethyl)cyclohexan-1-one?
The IUPAC name of 2-(2-pyridin-2-ylethyl)cyclohexan-1-one (CID 12813906) is 2-(2-pyridin-2-ylethyl)cyclohexan-1-one.
What is the SMILES notation for 2-(2-pyridin-2-ylethyl)cyclohexan-1-one?
The canonical SMILES for 2-(2-pyridin-2-ylethyl)cyclohexan-1-one is O=C1CCCCC1CCc1ccccn1.
What is the InChIKey of 2-(2-pyridin-2-ylethyl)cyclohexan-1-one?
The InChIKey is NRPYWWKSGYCVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c15-13-7-2-1-5-11(13)8-9-12-6-3-4-10-14-12/h3-4,6,10-11H,1-2,5,7-9H2.
What are the key properties of 2-(2-pyridin-2-ylethyl)cyclohexan-1-one?
2-(2-pyridin-2-ylethyl)cyclohexan-1-one has a molecular weight of 203.29 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-ylethyl)cyclohexan-1-one is sourced from PubChem (CID 12813906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).