1-[2-(cyclohexen-1-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid

C15H19NO3 — CID 82121678

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccn(CCC2=CCCCC2)c(=O)c1C(=O)O
InChIInChI=1S/C15H19NO3/c1-11-7-9-16(14(17)13(11)15(18)19)10-8-12-5-3-2-4-6-12/h5,7,9H,2-4,6,8,10H2,1H3,(H,18,19)
InChIKeyIAKXOWGGCSHHMG-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.75
Rot. Bonds4

About 1-[2-(cyclohexen-1-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid

1-[2-(cyclohexen-1-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 82121678) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID82121678
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccn(CCC2=CCCCC2)c(=O)c1C(=O)O
InChIInChI=1S/C15H19NO3/c1-11-7-9-16(14(17)13(11)15(18)19)10-8-12-5-3-2-4-6-12/h5,7,9H,2-4,6,8,10H2,1H3,(H,18,19)
InChIKeyIAKXOWGGCSHHMG-UHFFFAOYSA-N
XLogP2.75
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170511227
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide
CID 53167250
1-[2-(cyclohexen-1-yl)ethyl]-2-oxopyridine-3-carbonitrile
CID 82115420
2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]acetic acid
CID 82119731
1-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylphenyl)sulfonylpiperazine
CID 113073220
2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-2-oxoacetic acid
CID 82122805
8-[2-(cyclohexen-1-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 43865106
[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 113073116
1-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxylic acid
CID 82476753
N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide
CID 53164177
4-methyl-2-oxo-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridine-3-carboxylic acid
CID 170503371
N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
CID 110680939

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid (CID 82121678) is 1-[2-(cyclohexen-1-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid is Cc1ccn(CCC2=CCCCC2)c(=O)c1C(=O)O.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is IAKXOWGGCSHHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11-7-9-16(14(17)13(11)15(18)19)10-8-12-5-3-2-4-6-12/h5,7,9H,2-4,6,8,10H2,1H3,(H,18,19).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
1-[2-(cyclohexen-1-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82121678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).