(Z)-1-N-ethenylpent-3-ene-1,2-diimine

C7H10N2 — CID 123703695

IUPAC(Z)-1-N-ethenylpent-3-ene-1,2-diimine
SMILES[H]/N=C(\C=C/C)/C=N/C=C
InChIInChI=1S/C7H10N2/c1-3-5-7(8)6-9-4-2/h3-6,8H,2H2,1H3/b5-3-,8-7+,9-6+
InChIKeyJOAIHEPJJMETTL-RJYZPCDXSA-N
MW122.17 g/mol
LogP1.80
Rot. Bonds3

About (Z)-1-N-ethenylpent-3-ene-1,2-diimine

(Z)-1-N-ethenylpent-3-ene-1,2-diimine (PubChem CID 123703695) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is (Z)-1-N-ethenylpent-3-ene-1,2-diimine.

Molecular Properties

Compound Name(Z)-1-N-ethenylpent-3-ene-1,2-diimine
PubChem CID123703695
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name(Z)-1-N-ethenylpent-3-ene-1,2-diimine
SMILES[H]/N=C(\C=C/C)/C=N/C=C
InChIInChI=1S/C7H10N2/c1-3-5-7(8)6-9-4-2/h3-6,8H,2H2,1H3/b5-3-,8-7+,9-6+
InChIKeyJOAIHEPJJMETTL-RJYZPCDXSA-N
XLogP1.80
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-1-N-ethenylpent-3-ene-1,2-diimine 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 (Z)-1-N-ethenylpent-3-ene-1,2-diimine?
The IUPAC name of (Z)-1-N-ethenylpent-3-ene-1,2-diimine (CID 123703695) is (Z)-1-N-ethenylpent-3-ene-1,2-diimine.
What is the SMILES notation for (Z)-1-N-ethenylpent-3-ene-1,2-diimine?
The canonical SMILES for (Z)-1-N-ethenylpent-3-ene-1,2-diimine is [H]/N=C(\C=C/C)/C=N/C=C.
What is the InChIKey of (Z)-1-N-ethenylpent-3-ene-1,2-diimine?
The InChIKey is JOAIHEPJJMETTL-RJYZPCDXSA-N. The full InChI is InChI=1S/C7H10N2/c1-3-5-7(8)6-9-4-2/h3-6,8H,2H2,1H3/b5-3-,8-7+,9-6+.
What are the key properties of (Z)-1-N-ethenylpent-3-ene-1,2-diimine?
(Z)-1-N-ethenylpent-3-ene-1,2-diimine has a molecular weight of 122.17 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-ethenylpent-3-ene-1,2-diimine is sourced from PubChem (CID 123703695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).