4-(pyridine-2-carbonyl)cyclohexan-1-one

C12H13NO2 — CID 116920313

IUPAC4-(pyridine-2-carbonyl)cyclohexan-1-one
SMILESO=C1CCC(C(=O)c2ccccn2)CC1
InChIInChI=1S/C12H13NO2/c14-10-6-4-9(5-7-10)12(15)11-3-1-2-8-13-11/h1-3,8-9H,4-7H2
InChIKeyBHSFJYQNPVTWQI-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.02
Rot. Bonds2

About 4-(pyridine-2-carbonyl)cyclohexan-1-one

4-(pyridine-2-carbonyl)cyclohexan-1-one (PubChem CID 116920313) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-(pyridine-2-carbonyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(pyridine-2-carbonyl)cyclohexan-1-one
PubChem CID116920313
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4-(pyridine-2-carbonyl)cyclohexan-1-one
SMILESO=C1CCC(C(=O)c2ccccn2)CC1
InChIInChI=1S/C12H13NO2/c14-10-6-4-9(5-7-10)12(15)11-3-1-2-8-13-11/h1-3,8-9H,4-7H2
InChIKeyBHSFJYQNPVTWQI-UHFFFAOYSA-N
XLogP2.02
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid
CID 116918674
(3-aminocyclobutyl)-pyridin-2-ylmethanone
CID 116917775
pyridin-2-yl-[(3S)-thiolan-3-yl]methanone
CID 99934837
3-(pyridine-2-carbonyl)oxolan-2-one
CID 24971718
N-methyl-4-oxo-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 115150404
oxiran-2-yl(pyridin-2-yl)methanone
CID 89057546
CID 87968844
CID 87968844
4-pyridin-2-ylcyclohexan-1-one
CID 21187660
6-oxaspiro[4.5]decan-9-yl(pyridin-2-yl)methanone
CID 79913229
pyridine-2-carbothioic S-acid
CID 158789814
2-[4-(pyridine-2-carbonyl)piperidin-1-yl]ethyl acetate
CID 174725091
lithium pyridine-2-carbonylazanide
CID 87752623

Frequently Asked Questions

What is the IUPAC name of 4-(pyridine-2-carbonyl)cyclohexan-1-one?
The IUPAC name of 4-(pyridine-2-carbonyl)cyclohexan-1-one (CID 116920313) is 4-(pyridine-2-carbonyl)cyclohexan-1-one.
What is the SMILES notation for 4-(pyridine-2-carbonyl)cyclohexan-1-one?
The canonical SMILES for 4-(pyridine-2-carbonyl)cyclohexan-1-one is O=C1CCC(C(=O)c2ccccn2)CC1.
What is the InChIKey of 4-(pyridine-2-carbonyl)cyclohexan-1-one?
The InChIKey is BHSFJYQNPVTWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-10-6-4-9(5-7-10)12(15)11-3-1-2-8-13-11/h1-3,8-9H,4-7H2.
What are the key properties of 4-(pyridine-2-carbonyl)cyclohexan-1-one?
4-(pyridine-2-carbonyl)cyclohexan-1-one has a molecular weight of 203.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridine-2-carbonyl)cyclohexan-1-one is sourced from PubChem (CID 116920313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).