6-but-3-enyl-2-oxo-1H-pyridine-3-carbonitrile

C10H10N2O — CID 10921007

IUPAC6-but-3-enyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESC=CCCc1ccc(C#N)c(=O)[nH]1
InChIInChI=1S/C10H10N2O/c1-2-3-4-9-6-5-8(7-11)10(13)12-9/h2,5-6H,1,3-4H2,(H,12,13)
InChIKeyRDRXWVHNDPMRMR-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.37
Rot. Bonds3

About 6-but-3-enyl-2-oxo-1H-pyridine-3-carbonitrile

6-but-3-enyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 10921007) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 6-but-3-enyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-but-3-enyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID10921007
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name6-but-3-enyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESC=CCCc1ccc(C#N)c(=O)[nH]1
InChIInChI=1S/C10H10N2O/c1-2-3-4-9-6-5-8(7-11)10(13)12-9/h2,5-6H,1,3-4H2,(H,12,13)
InChIKeyRDRXWVHNDPMRMR-UHFFFAOYSA-N
XLogP1.37
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Cyano-4,6-dimethyl-2-hydroxypyridine
CID 69856
2-Oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
CID 2768260
5-Acetyl-2-hydroxy-6-methylnicotinonitrile
CID 2765476
2-oxo-1H,2H,5H,6H,7H,8H,9H-cyclohepta[b]pyridine-3-carbonitrile
CID 7784472
2-oxo-1H,2H,5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile
CID 907352
6-tert-Butyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 12944925
2-Hydroxy-4,5,6-trimethylnicotinonitrile
CID 642508
2-Hydroxy-6-propyl-4-(trifluoromethyl)nicotinonitrile
CID 1478207
2-Hydroxy-6-ethylpyridine-3-carbonitrile
CID 10487008
6-Isopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 10583113
6-Cyclopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 14677000
6-Cyclopropyl-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 67124272

Frequently Asked Questions

What is the IUPAC name of 6-but-3-enyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-but-3-enyl-2-oxo-1H-pyridine-3-carbonitrile (CID 10921007) is 6-but-3-enyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-but-3-enyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-but-3-enyl-2-oxo-1H-pyridine-3-carbonitrile is C=CCCc1ccc(C#N)c(=O)[nH]1.
What is the InChIKey of 6-but-3-enyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is RDRXWVHNDPMRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-2-3-4-9-6-5-8(7-11)10(13)12-9/h2,5-6H,1,3-4H2,(H,12,13).
What are the key properties of 6-but-3-enyl-2-oxo-1H-pyridine-3-carbonitrile?
6-but-3-enyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 174.20 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 10921007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).