(E)-3-amino-3-phenylprop-2-enenitrile

C9H8N2 — CID 5370582

IUPAC(E)-3-amino-3-phenylprop-2-enenitrile
SMILESN#C/C=C(/N)c1ccccc1
InChIInChI=1S/C9H8N2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-6H,11H2/b9-6+
InChIKeyGDJDODGBGRBEAN-RMKNXTFCSA-N
MW144.18 g/mol
LogP1.51
Rot. Bonds1

About (E)-3-amino-3-phenylprop-2-enenitrile

(E)-3-amino-3-phenylprop-2-enenitrile (PubChem CID 5370582) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is (E)-3-amino-3-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-amino-3-phenylprop-2-enenitrile
PubChem CID5370582
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name(E)-3-amino-3-phenylprop-2-enenitrile
SMILESN#C/C=C(/N)c1ccccc1
InChIInChI=1S/C9H8N2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-6H,11H2/b9-6+
InChIKeyGDJDODGBGRBEAN-RMKNXTFCSA-N
XLogP1.51
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-amino-3-phenylprop-2-enenitrile 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 (E)-3-amino-3-phenylprop-2-enenitrile?
The IUPAC name of (E)-3-amino-3-phenylprop-2-enenitrile (CID 5370582) is (E)-3-amino-3-phenylprop-2-enenitrile.
What is the SMILES notation for (E)-3-amino-3-phenylprop-2-enenitrile?
The canonical SMILES for (E)-3-amino-3-phenylprop-2-enenitrile is N#C/C=C(/N)c1ccccc1.
What is the InChIKey of (E)-3-amino-3-phenylprop-2-enenitrile?
The InChIKey is GDJDODGBGRBEAN-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H8N2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-6H,11H2/b9-6+.
What are the key properties of (E)-3-amino-3-phenylprop-2-enenitrile?
(E)-3-amino-3-phenylprop-2-enenitrile has a molecular weight of 144.18 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-3-phenylprop-2-enenitrile is sourced from PubChem (CID 5370582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).