1-[2-(cyclohexen-1-yl)ethyl]-2-oxopyridine-3-carbonitrile

C14H16N2O — CID 82115420

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-2-oxopyridine-3-carbonitrile
SMILESN#Cc1cccn(CCC2=CCCCC2)c1=O
InChIInChI=1S/C14H16N2O/c15-11-13-7-4-9-16(14(13)17)10-8-12-5-2-1-3-6-12/h4-5,7,9H,1-3,6,8,10H2
InChIKeyNXAMUXPFCCGFER-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.61
Rot. Bonds3

About 1-[2-(cyclohexen-1-yl)ethyl]-2-oxopyridine-3-carbonitrile

1-[2-(cyclohexen-1-yl)ethyl]-2-oxopyridine-3-carbonitrile (PubChem CID 82115420) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-2-oxopyridine-3-carbonitrile
PubChem CID82115420
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-2-oxopyridine-3-carbonitrile
SMILESN#Cc1cccn(CCC2=CCCCC2)c1=O
InChIInChI=1S/C14H16N2O/c15-11-13-7-4-9-16(14(13)17)10-8-12-5-2-1-3-6-12/h4-5,7,9H,1-3,6,8,10H2
InChIKeyNXAMUXPFCCGFER-UHFFFAOYSA-N
XLogP2.61
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(cyclopenten-1-yl)ethyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 106172155
1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
CID 103924554
2-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 70438721
1-[2-(cyclohexen-1-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 82121678
2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzonitrile
CID 60691473
2-(3-cyano-2-oxo-1-pyridinyl)acetic acid
CID 21493819
3-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 807484
2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile
CID 84682804
4-[(3-cyano-2-oxo-1-pyridinyl)methyl]benzoic acid
CID 107017483
2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 2706736
N-(3-cyanothiophen-2-yl)-2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3688882
3-[2-(cyclohexen-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-one
CID 658621

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-2-oxopyridine-3-carbonitrile (CID 82115420) is 1-[2-(cyclohexen-1-yl)ethyl]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-2-oxopyridine-3-carbonitrile is N#Cc1cccn(CCC2=CCCCC2)c1=O.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-2-oxopyridine-3-carbonitrile?
The InChIKey is NXAMUXPFCCGFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c15-11-13-7-4-9-16(14(13)17)10-8-12-5-2-1-3-6-12/h4-5,7,9H,1-3,6,8,10H2.
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-2-oxopyridine-3-carbonitrile?
1-[2-(cyclohexen-1-yl)ethyl]-2-oxopyridine-3-carbonitrile has a molecular weight of 228.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82115420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).