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

C7H9N3O — CID 103124026

IUPAC2-methyl-3-(2-oxo-1H-imidazol-3-yl)propanenitrile
SMILESCC(C#N)Cn1cc[nH]c1=O
InChIInChI=1S/C7H9N3O/c1-6(4-8)5-10-3-2-9-7(10)11/h2-3,6H,5H2,1H3,(H,9,11)
InChIKeyCCRJIMDLGSKJEU-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.34
Rot. Bonds2

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

2-methyl-3-(2-oxo-1H-imidazol-3-yl)propanenitrile (PubChem CID 103124026) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 2-methyl-3-(2-oxo-1H-imidazol-3-yl)propanenitrile.

Molecular Properties

Compound Name2-methyl-3-(2-oxo-1H-imidazol-3-yl)propanenitrile
PubChem CID103124026
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name2-methyl-3-(2-oxo-1H-imidazol-3-yl)propanenitrile
SMILESCC(C#N)Cn1cc[nH]c1=O
InChIInChI=1S/C7H9N3O/c1-6(4-8)5-10-3-2-9-7(10)11/h2-3,6H,5H2,1H3,(H,9,11)
InChIKeyCCRJIMDLGSKJEU-UHFFFAOYSA-N
XLogP0.34
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 ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-oxo-1H-imidazol-3-yl)propanenitrile?
The IUPAC name of 2-methyl-3-(2-oxo-1H-imidazol-3-yl)propanenitrile (CID 103124026) is 2-methyl-3-(2-oxo-1H-imidazol-3-yl)propanenitrile.
What is the SMILES notation for 2-methyl-3-(2-oxo-1H-imidazol-3-yl)propanenitrile?
The canonical SMILES for 2-methyl-3-(2-oxo-1H-imidazol-3-yl)propanenitrile is CC(C#N)Cn1cc[nH]c1=O.
What is the InChIKey of 2-methyl-3-(2-oxo-1H-imidazol-3-yl)propanenitrile?
The InChIKey is CCRJIMDLGSKJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-6(4-8)5-10-3-2-9-7(10)11/h2-3,6H,5H2,1H3,(H,9,11).
What are the key properties of 2-methyl-3-(2-oxo-1H-imidazol-3-yl)propanenitrile?
2-methyl-3-(2-oxo-1H-imidazol-3-yl)propanenitrile has a molecular weight of 151.17 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-oxo-1H-imidazol-3-yl)propanenitrile is sourced from PubChem (CID 103124026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).