3-(5-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carbaldehyde

C13H17NO2 — CID 91156686

IUPAC3-(5-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carbaldehyde
SMILESCc1cc(C2CCCC(C=O)C2)c[nH]c1=O
InChIInChI=1S/C13H17NO2/c1-9-5-12(7-14-13(9)16)11-4-2-3-10(6-11)8-15/h5,7-8,10-11H,2-4,6H2,1H3,(H,14,16)
InChIKeyPVMCIWFVBOVSTM-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.16
Rot. Bonds2

About 3-(5-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carbaldehyde

3-(5-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carbaldehyde (PubChem CID 91156686) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-(5-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name3-(5-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carbaldehyde
PubChem CID91156686
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-(5-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carbaldehyde
SMILESCc1cc(C2CCCC(C=O)C2)c[nH]c1=O
InChIInChI=1S/C13H17NO2/c1-9-5-12(7-14-13(9)16)11-4-2-3-10(6-11)8-15/h5,7-8,10-11H,2-4,6H2,1H3,(H,14,16)
InChIKeyPVMCIWFVBOVSTM-UHFFFAOYSA-N
XLogP2.16
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropyl-3-methyl-1H-pyridin-2-one
CID 83131325
(1S)-3-phenylcyclohexane-1-carbaldehyde
CID 57073826
3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one
CID 129370302
3-methyl-5-[(2R)-1-propan-2-ylpiperidin-2-yl]-1H-pyridin-2-one
CID 129370336
cyclohexane-1,3-dicarbaldehyde
CID 23496622
3-methyl-5-[(2R)-piperazin-2-yl]-1H-pyridin-2-one
CID 55274563
5-amino-3-methyl-1H-pyridin-2-one
CID 62475744
5-cycloheptyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 105496283
3-iodocyclohexane-1-carbaldehyde
CID 133056563
3-[4-(dimethylamino)phenyl]cyclopentane-1-carbaldehyde
CID 123170690
cyclooctane-1,5-dicarbaldehyde
CID 18542113
5-[(1R)-1-amino-2-cyclopropylethyl]-3-methyl-1H-pyridin-2-one
CID 130614731

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carbaldehyde?
The IUPAC name of 3-(5-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carbaldehyde (CID 91156686) is 3-(5-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 3-(5-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 3-(5-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carbaldehyde is Cc1cc(C2CCCC(C=O)C2)c[nH]c1=O.
What is the InChIKey of 3-(5-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carbaldehyde?
The InChIKey is PVMCIWFVBOVSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-5-12(7-14-13(9)16)11-4-2-3-10(6-11)8-15/h5,7-8,10-11H,2-4,6H2,1H3,(H,14,16).
What are the key properties of 3-(5-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carbaldehyde?
3-(5-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carbaldehyde has a molecular weight of 219.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 91156686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).