2-(2-ethenyl-5-methyl-1H-imidazol-4-yl)propanenitrile

C9H11N3 — CID 129073678

IUPAC2-(2-ethenyl-5-methyl-1H-imidazol-4-yl)propanenitrile
SMILESC=Cc1nc(C(C)C#N)c(C)[nH]1
InChIInChI=1S/C9H11N3/c1-4-8-11-7(3)9(12-8)6(2)5-10/h4,6H,1H2,2-3H3,(H,11,12)
InChIKeyHXETXJKZWOWTHT-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.99
Rot. Bonds2

About 2-(2-ethenyl-5-methyl-1H-imidazol-4-yl)propanenitrile

2-(2-ethenyl-5-methyl-1H-imidazol-4-yl)propanenitrile (PubChem CID 129073678) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 2-(2-ethenyl-5-methyl-1H-imidazol-4-yl)propanenitrile.

Molecular Properties

Compound Name2-(2-ethenyl-5-methyl-1H-imidazol-4-yl)propanenitrile
PubChem CID129073678
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name2-(2-ethenyl-5-methyl-1H-imidazol-4-yl)propanenitrile
SMILESC=Cc1nc(C(C)C#N)c(C)[nH]1
InChIInChI=1S/C9H11N3/c1-4-8-11-7(3)9(12-8)6(2)5-10/h4,6H,1H2,2-3H3,(H,11,12)
InChIKeyHXETXJKZWOWTHT-UHFFFAOYSA-N
XLogP1.99
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenyl-5-methyl-1H-imidazol-4-yl)propanenitrile?
The IUPAC name of 2-(2-ethenyl-5-methyl-1H-imidazol-4-yl)propanenitrile (CID 129073678) is 2-(2-ethenyl-5-methyl-1H-imidazol-4-yl)propanenitrile.
What is the SMILES notation for 2-(2-ethenyl-5-methyl-1H-imidazol-4-yl)propanenitrile?
The canonical SMILES for 2-(2-ethenyl-5-methyl-1H-imidazol-4-yl)propanenitrile is C=Cc1nc(C(C)C#N)c(C)[nH]1.
What is the InChIKey of 2-(2-ethenyl-5-methyl-1H-imidazol-4-yl)propanenitrile?
The InChIKey is HXETXJKZWOWTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-4-8-11-7(3)9(12-8)6(2)5-10/h4,6H,1H2,2-3H3,(H,11,12).
What are the key properties of 2-(2-ethenyl-5-methyl-1H-imidazol-4-yl)propanenitrile?
2-(2-ethenyl-5-methyl-1H-imidazol-4-yl)propanenitrile has a molecular weight of 161.21 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenyl-5-methyl-1H-imidazol-4-yl)propanenitrile is sourced from PubChem (CID 129073678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).