3-(5-methyl-2-oxo-1H-imidazol-3-yl)propanenitrile

C7H9N3O — CID 154100770

IUPAC3-(5-methyl-2-oxo-1H-imidazol-3-yl)propanenitrile
SMILESCc1cn(CCC#N)c(=O)[nH]1
InChIInChI=1S/C7H9N3O/c1-6-5-10(4-2-3-8)7(11)9-6/h5H,2,4H2,1H3,(H,9,11)
InChIKeyPIFFSPYDFIXFCU-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.40
Rot. Bonds2

About 3-(5-methyl-2-oxo-1H-imidazol-3-yl)propanenitrile

3-(5-methyl-2-oxo-1H-imidazol-3-yl)propanenitrile (PubChem CID 154100770) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 3-(5-methyl-2-oxo-1H-imidazol-3-yl)propanenitrile.

Molecular Properties

Compound Name3-(5-methyl-2-oxo-1H-imidazol-3-yl)propanenitrile
PubChem CID154100770
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name3-(5-methyl-2-oxo-1H-imidazol-3-yl)propanenitrile
SMILESCc1cn(CCC#N)c(=O)[nH]1
InChIInChI=1S/C7H9N3O/c1-6-5-10(4-2-3-8)7(11)9-6/h5H,2,4H2,1H3,(H,9,11)
InChIKeyPIFFSPYDFIXFCU-UHFFFAOYSA-N
XLogP0.40
TPSA61.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-oxo-1H-imidazol-3-yl)propanenitrile?
The IUPAC name of 3-(5-methyl-2-oxo-1H-imidazol-3-yl)propanenitrile (CID 154100770) is 3-(5-methyl-2-oxo-1H-imidazol-3-yl)propanenitrile.
What is the SMILES notation for 3-(5-methyl-2-oxo-1H-imidazol-3-yl)propanenitrile?
The canonical SMILES for 3-(5-methyl-2-oxo-1H-imidazol-3-yl)propanenitrile is Cc1cn(CCC#N)c(=O)[nH]1.
What is the InChIKey of 3-(5-methyl-2-oxo-1H-imidazol-3-yl)propanenitrile?
The InChIKey is PIFFSPYDFIXFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-6-5-10(4-2-3-8)7(11)9-6/h5H,2,4H2,1H3,(H,9,11).
What are the key properties of 3-(5-methyl-2-oxo-1H-imidazol-3-yl)propanenitrile?
3-(5-methyl-2-oxo-1H-imidazol-3-yl)propanenitrile has a molecular weight of 151.17 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-oxo-1H-imidazol-3-yl)propanenitrile is sourced from PubChem (CID 154100770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).