2-imidazolidin-1-ylacetonitrile

C5H9N3 — CID 55287724

IUPAC2-imidazolidin-1-ylacetonitrile
SMILESN#CCN1CCNC1
InChIInChI=1S/C5H9N3/c6-1-3-8-4-2-7-5-8/h7H,2-5H2
InChIKeyHDCZDCLZFMLONV-UHFFFAOYSA-N
MW111.15 g/mol
LogP-0.63
Rot. Bonds1

About 2-imidazolidin-1-ylacetonitrile

2-imidazolidin-1-ylacetonitrile (PubChem CID 55287724) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 2-imidazolidin-1-ylacetonitrile.

Molecular Properties

Compound Name2-imidazolidin-1-ylacetonitrile
PubChem CID55287724
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name2-imidazolidin-1-ylacetonitrile
SMILESN#CCN1CCNC1
InChIInChI=1S/C5H9N3/c6-1-3-8-4-2-7-5-8/h7H,2-5H2
InChIKeyHDCZDCLZFMLONV-UHFFFAOYSA-N
XLogP-0.63
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2-imidazolidin-1-ylacetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-imidazolidin-1-ylacetonitrile?
The IUPAC name of 2-imidazolidin-1-ylacetonitrile (CID 55287724) is 2-imidazolidin-1-ylacetonitrile.
What is the SMILES notation for 2-imidazolidin-1-ylacetonitrile?
The canonical SMILES for 2-imidazolidin-1-ylacetonitrile is N#CCN1CCNC1.
What is the InChIKey of 2-imidazolidin-1-ylacetonitrile?
The InChIKey is HDCZDCLZFMLONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c6-1-3-8-4-2-7-5-8/h7H,2-5H2.
What are the key properties of 2-imidazolidin-1-ylacetonitrile?
2-imidazolidin-1-ylacetonitrile has a molecular weight of 111.15 g/mol, XLogP of -0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazolidin-1-ylacetonitrile is sourced from PubChem (CID 55287724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).