2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylic acid

C13H19NO3 — CID 154393037

IUPAC2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylic acid
SMILESO=C1C=CN(C(=O)O)C(CC2CCCCC2)C1
InChIInChI=1S/C13H19NO3/c15-12-6-7-14(13(16)17)11(9-12)8-10-4-2-1-3-5-10/h6-7,10-11H,1-5,8-9H2,(H,16,17)
InChIKeyQWMPLIYRMZRQNJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.79
Rot. Bonds2

About 2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylic acid

2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylic acid (PubChem CID 154393037) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylic acid.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylic acid
PubChem CID154393037
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylic acid
SMILESO=C1C=CN(C(=O)O)C(CC2CCCCC2)C1
InChIInChI=1S/C13H19NO3/c15-12-6-7-14(13(16)17)11(9-12)8-10-4-2-1-3-5-10/h6-7,10-11H,1-5,8-9H2,(H,16,17)
InChIKeyQWMPLIYRMZRQNJ-UHFFFAOYSA-N
XLogP2.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 10244500
CID 10244500
CID 57963541
CID 57963541
CID 123908622
CID 123908622

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylic acid?
The IUPAC name of 2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylic acid (CID 154393037) is 2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylic acid.
What is the SMILES notation for 2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylic acid?
The canonical SMILES for 2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylic acid is O=C1C=CN(C(=O)O)C(CC2CCCCC2)C1.
What is the InChIKey of 2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylic acid?
The InChIKey is QWMPLIYRMZRQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c15-12-6-7-14(13(16)17)11(9-12)8-10-4-2-1-3-5-10/h6-7,10-11H,1-5,8-9H2,(H,16,17).
What are the key properties of 2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylic acid?
2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-4-oxo-2,3-dihydropyridine-1-carboxylic acid is sourced from PubChem (CID 154393037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).