2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylic acid

C12H17NO3 — CID 123908622

IUPAC2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylic acid
SMILESO=C1C=CN(C(=O)O)C(C2CCCCC2)C1
InChIInChI=1S/C12H17NO3/c14-10-6-7-13(12(15)16)11(8-10)9-4-2-1-3-5-9/h6-7,9,11H,1-5,8H2,(H,15,16)
InChIKeyRSFQDTSCINZTAF-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.40
Rot. Bonds1

About 2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylic acid

2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylic acid (PubChem CID 123908622) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylic acid.

Molecular Properties

Compound Name2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylic acid
PubChem CID123908622
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylic acid
SMILESO=C1C=CN(C(=O)O)C(C2CCCCC2)C1
InChIInChI=1S/C12H17NO3/c14-10-6-7-13(12(15)16)11(8-10)9-4-2-1-3-5-9/h6-7,9,11H,1-5,8H2,(H,15,16)
InChIKeyRSFQDTSCINZTAF-UHFFFAOYSA-N
XLogP2.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylic acid?
The IUPAC name of 2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylic acid (CID 123908622) is 2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylic acid.
What is the SMILES notation for 2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylic acid?
The canonical SMILES for 2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylic acid is O=C1C=CN(C(=O)O)C(C2CCCCC2)C1.
What is the InChIKey of 2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylic acid?
The InChIKey is RSFQDTSCINZTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c14-10-6-7-13(12(15)16)11(8-10)9-4-2-1-3-5-9/h6-7,9,11H,1-5,8H2,(H,15,16).
What are the key properties of 2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylic acid?
2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylic acid has a molecular weight of 223.27 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-oxo-2,3-dihydropyridine-1-carboxylic acid is sourced from PubChem (CID 123908622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).