3-ethenyl-2,7-dimethyl-5-oxo-1H-imidazo[1,2-a]pyridine-8-carbonitrile

C12H11N3O — CID 138492423

IUPAC3-ethenyl-2,7-dimethyl-5-oxo-1H-imidazo[1,2-a]pyridine-8-carbonitrile
SMILESC=Cc1c(C)[nH]c2c(C#N)c(C)cc(=O)n12
InChIInChI=1S/C12H11N3O/c1-4-10-8(3)14-12-9(6-13)7(2)5-11(16)15(10)12/h4-5,14H,1H2,2-3H3
InChIKeyBXWZLIOTLRQCNW-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.76
Rot. Bonds1

About 3-ethenyl-2,7-dimethyl-5-oxo-1H-imidazo[1,2-a]pyridine-8-carbonitrile

3-ethenyl-2,7-dimethyl-5-oxo-1H-imidazo[1,2-a]pyridine-8-carbonitrile (PubChem CID 138492423) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-ethenyl-2,7-dimethyl-5-oxo-1H-imidazo[1,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name3-ethenyl-2,7-dimethyl-5-oxo-1H-imidazo[1,2-a]pyridine-8-carbonitrile
PubChem CID138492423
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name3-ethenyl-2,7-dimethyl-5-oxo-1H-imidazo[1,2-a]pyridine-8-carbonitrile
SMILESC=Cc1c(C)[nH]c2c(C#N)c(C)cc(=O)n12
InChIInChI=1S/C12H11N3O/c1-4-10-8(3)14-12-9(6-13)7(2)5-11(16)15(10)12/h4-5,14H,1H2,2-3H3
InChIKeyBXWZLIOTLRQCNW-UHFFFAOYSA-N
XLogP1.76
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 162080469
3-methyl-7-nitro-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 162676000
6-cyano-5,12-dimethyl-3-oxo-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),4,6,10,13-pentaene-12-sulfonic acid
CID 143811398
3-cyano-1,4-dimethyl-6-oxopyridin-2-olate
CID 41097286
3-cyano-4-methyl-6-oxo-1H-pyridine-2-thiolate
CID 3667173
2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile
CID 159463245
3-ethyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 2114010
6-ethyl-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 10630830
4-methyl-2-methylsulfanyl-6-oxo-1H-pyridine-3-carbonitrile
CID 2726104
2-(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)propanedinitrile
CID 593433
7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
CID 2318180
1-(1-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 19688388

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2,7-dimethyl-5-oxo-1H-imidazo[1,2-a]pyridine-8-carbonitrile?
The IUPAC name of 3-ethenyl-2,7-dimethyl-5-oxo-1H-imidazo[1,2-a]pyridine-8-carbonitrile (CID 138492423) is 3-ethenyl-2,7-dimethyl-5-oxo-1H-imidazo[1,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 3-ethenyl-2,7-dimethyl-5-oxo-1H-imidazo[1,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 3-ethenyl-2,7-dimethyl-5-oxo-1H-imidazo[1,2-a]pyridine-8-carbonitrile is C=Cc1c(C)[nH]c2c(C#N)c(C)cc(=O)n12.
What is the InChIKey of 3-ethenyl-2,7-dimethyl-5-oxo-1H-imidazo[1,2-a]pyridine-8-carbonitrile?
The InChIKey is BXWZLIOTLRQCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-4-10-8(3)14-12-9(6-13)7(2)5-11(16)15(10)12/h4-5,14H,1H2,2-3H3.
What are the key properties of 3-ethenyl-2,7-dimethyl-5-oxo-1H-imidazo[1,2-a]pyridine-8-carbonitrile?
3-ethenyl-2,7-dimethyl-5-oxo-1H-imidazo[1,2-a]pyridine-8-carbonitrile has a molecular weight of 213.24 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2,7-dimethyl-5-oxo-1H-imidazo[1,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 138492423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).