(2E)-2-piperidin-1-yliminoacetonitrile

C7H11N3 — CID 89378208

IUPAC(2E)-2-piperidin-1-yliminoacetonitrile
SMILESN#C/C=N/N1CCCCC1
InChIInChI=1S/C7H11N3/c8-4-5-9-10-6-2-1-3-7-10/h5H,1-3,6-7H2/b9-5+
InChIKeyHONOCWIOWDCIMS-WEVVVXLNSA-N
MW137.19 g/mol
LogP0.98
Rot. Bonds1

About (2E)-2-piperidin-1-yliminoacetonitrile

(2E)-2-piperidin-1-yliminoacetonitrile (PubChem CID 89378208) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is (2E)-2-piperidin-1-yliminoacetonitrile.

Molecular Properties

Compound Name(2E)-2-piperidin-1-yliminoacetonitrile
PubChem CID89378208
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name(2E)-2-piperidin-1-yliminoacetonitrile
SMILESN#C/C=N/N1CCCCC1
InChIInChI=1S/C7H11N3/c8-4-5-9-10-6-2-1-3-7-10/h5H,1-3,6-7H2/b9-5+
InChIKeyHONOCWIOWDCIMS-WEVVVXLNSA-N
XLogP0.98
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2E)-2-piperidin-1-yliminoacetonitrile 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 (2E)-2-piperidin-1-yliminoacetonitrile?
The IUPAC name of (2E)-2-piperidin-1-yliminoacetonitrile (CID 89378208) is (2E)-2-piperidin-1-yliminoacetonitrile.
What is the SMILES notation for (2E)-2-piperidin-1-yliminoacetonitrile?
The canonical SMILES for (2E)-2-piperidin-1-yliminoacetonitrile is N#C/C=N/N1CCCCC1.
What is the InChIKey of (2E)-2-piperidin-1-yliminoacetonitrile?
The InChIKey is HONOCWIOWDCIMS-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H11N3/c8-4-5-9-10-6-2-1-3-7-10/h5H,1-3,6-7H2/b9-5+.
What are the key properties of (2E)-2-piperidin-1-yliminoacetonitrile?
(2E)-2-piperidin-1-yliminoacetonitrile has a molecular weight of 137.19 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-piperidin-1-yliminoacetonitrile is sourced from PubChem (CID 89378208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).