2-ethoxy-2-(1H-imidazol-2-yl)acetonitrile

C7H9N3O — CID 57070598

IUPAC2-ethoxy-2-(1H-imidazol-2-yl)acetonitrile
SMILESCCOC(C#N)c1ncc[nH]1
InChIInChI=1S/C7H9N3O/c1-2-11-6(5-8)7-9-3-4-10-7/h3-4,6H,2H2,1H3,(H,9,10)
InChIKeyPAECURVTOOPCNJ-UHFFFAOYSA-N
MW151.17 g/mol
LogP1.01
Rot. Bonds3

About 2-ethoxy-2-(1H-imidazol-2-yl)acetonitrile

2-ethoxy-2-(1H-imidazol-2-yl)acetonitrile (PubChem CID 57070598) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 2-ethoxy-2-(1H-imidazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-ethoxy-2-(1H-imidazol-2-yl)acetonitrile
PubChem CID57070598
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name2-ethoxy-2-(1H-imidazol-2-yl)acetonitrile
SMILESCCOC(C#N)c1ncc[nH]1
InChIInChI=1S/C7H9N3O/c1-2-11-6(5-8)7-9-3-4-10-7/h3-4,6H,2H2,1H3,(H,9,10)
InChIKeyPAECURVTOOPCNJ-UHFFFAOYSA-N
XLogP1.01
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-(1H-imidazol-2-yl)acetonitrile?
The IUPAC name of 2-ethoxy-2-(1H-imidazol-2-yl)acetonitrile (CID 57070598) is 2-ethoxy-2-(1H-imidazol-2-yl)acetonitrile.
What is the SMILES notation for 2-ethoxy-2-(1H-imidazol-2-yl)acetonitrile?
The canonical SMILES for 2-ethoxy-2-(1H-imidazol-2-yl)acetonitrile is CCOC(C#N)c1ncc[nH]1.
What is the InChIKey of 2-ethoxy-2-(1H-imidazol-2-yl)acetonitrile?
The InChIKey is PAECURVTOOPCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-2-11-6(5-8)7-9-3-4-10-7/h3-4,6H,2H2,1H3,(H,9,10).
What are the key properties of 2-ethoxy-2-(1H-imidazol-2-yl)acetonitrile?
2-ethoxy-2-(1H-imidazol-2-yl)acetonitrile has a molecular weight of 151.17 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-(1H-imidazol-2-yl)acetonitrile is sourced from PubChem (CID 57070598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).