(E,4E)-4-(aminomethylidene)pent-2-enedinitrile

C6H5N3 — CID 5368723

IUPAC(E,4E)-4-(aminomethylidene)pent-2-enedinitrile
SMILESN#C/C=C/C(C#N)=C\N
InChIInChI=1S/C6H5N3/c7-3-1-2-6(4-8)5-9/h1-2,4H,8H2/b2-1+,6-4+
InChIKeyLOVNPCBVZRJWNA-ZMVSMXTFSA-N
MW119.13 g/mol
LogP0.43
Rot. Bonds1

About (E,4E)-4-(aminomethylidene)pent-2-enedinitrile

(E,4E)-4-(aminomethylidene)pent-2-enedinitrile (PubChem CID 5368723) has the molecular formula C6H5N3 and a molecular weight of 119.13 g/mol. Its IUPAC name is (E,4E)-4-(aminomethylidene)pent-2-enedinitrile.

Molecular Properties

Compound Name(E,4E)-4-(aminomethylidene)pent-2-enedinitrile
PubChem CID5368723
Molecular FormulaC6H5N3
Molecular Weight119.13 g/mol
Exact Mass119.05
IUPAC Name(E,4E)-4-(aminomethylidene)pent-2-enedinitrile
SMILESN#C/C=C/C(C#N)=C\N
InChIInChI=1S/C6H5N3/c7-3-1-2-6(4-8)5-9/h1-2,4H,8H2/b2-1+,6-4+
InChIKeyLOVNPCBVZRJWNA-ZMVSMXTFSA-N
XLogP0.43
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.13
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E,4E)-4-(aminomethylidene)pent-2-enedinitrile 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,4E)-4-(aminomethylidene)pent-2-enedinitrile?
The IUPAC name of (E,4E)-4-(aminomethylidene)pent-2-enedinitrile (CID 5368723) is (E,4E)-4-(aminomethylidene)pent-2-enedinitrile.
What is the SMILES notation for (E,4E)-4-(aminomethylidene)pent-2-enedinitrile?
The canonical SMILES for (E,4E)-4-(aminomethylidene)pent-2-enedinitrile is N#C/C=C/C(C#N)=C\N.
What is the InChIKey of (E,4E)-4-(aminomethylidene)pent-2-enedinitrile?
The InChIKey is LOVNPCBVZRJWNA-ZMVSMXTFSA-N. The full InChI is InChI=1S/C6H5N3/c7-3-1-2-6(4-8)5-9/h1-2,4H,8H2/b2-1+,6-4+.
What are the key properties of (E,4E)-4-(aminomethylidene)pent-2-enedinitrile?
(E,4E)-4-(aminomethylidene)pent-2-enedinitrile has a molecular weight of 119.13 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4E)-4-(aminomethylidene)pent-2-enedinitrile is sourced from PubChem (CID 5368723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).