(E)-5-iminopent-3-enenitrile

C5H6N2 — CID 123602892

IUPAC(E)-5-iminopent-3-enenitrile
SMILES[H]/N=C/C=C/CC#N
InChIInChI=1S/C5H6N2/c6-4-2-1-3-5-7/h1-2,4,6H,3H2/b2-1+,6-4+
InChIKeyURSDDQNYOLAQMJ-ZMVSMXTFSA-N
MW94.12 g/mol
LogP1.11
Rot. Bonds2

About (E)-5-iminopent-3-enenitrile

(E)-5-iminopent-3-enenitrile (PubChem CID 123602892) has the molecular formula C5H6N2 and a molecular weight of 94.12 g/mol. Its IUPAC name is (E)-5-iminopent-3-enenitrile.

Molecular Properties

Compound Name(E)-5-iminopent-3-enenitrile
PubChem CID123602892
Molecular FormulaC5H6N2
Molecular Weight94.12 g/mol
Exact Mass94.05
IUPAC Name(E)-5-iminopent-3-enenitrile
SMILES[H]/N=C/C=C/CC#N
InChIInChI=1S/C5H6N2/c6-4-2-1-3-5-7/h1-2,4,6H,3H2/b2-1+,6-4+
InChIKeyURSDDQNYOLAQMJ-ZMVSMXTFSA-N
XLogP1.11
TPSA47.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.12
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-5-iminopent-3-enenitrile with MolForge

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

Launch Full Analysis

Related Compounds

5-oxopent-3-enenitrile
CID 57304287
octa-2,6-dien-1-imine
CID 172654188
octa-3,5,7-trienenitrile;hydrochloride
CID 175319222
pent-3-enenitrile
CID 158010428
(E)-5-hydroxypent-3-enenitrile
CID 15256586
(3E,5E,8E)-dodeca-3,5,8-trienenitrile
CID 101282343
(3E,5E,7E)-trideca-3,5,7-trienenitrile
CID 101282404
(Z)-5,5-dimethylhex-3-enenitrile
CID 643805
(3E,5E,8E)-tetradeca-3,5,8-trienenitrile
CID 101282497
(Z)-4-iminobut-2-enimidoyl fluoride
CID 146392552
(Z)-5-phenylpent-3-enenitrile
CID 102025898
ethane;methane;(Z)-4-methylhex-2-en-1-imine
CID 178018442

Frequently Asked Questions

What is the IUPAC name of (E)-5-iminopent-3-enenitrile?
The IUPAC name of (E)-5-iminopent-3-enenitrile (CID 123602892) is (E)-5-iminopent-3-enenitrile.
What is the SMILES notation for (E)-5-iminopent-3-enenitrile?
The canonical SMILES for (E)-5-iminopent-3-enenitrile is [H]/N=C/C=C/CC#N.
What is the InChIKey of (E)-5-iminopent-3-enenitrile?
The InChIKey is URSDDQNYOLAQMJ-ZMVSMXTFSA-N. The full InChI is InChI=1S/C5H6N2/c6-4-2-1-3-5-7/h1-2,4,6H,3H2/b2-1+,6-4+.
What are the key properties of (E)-5-iminopent-3-enenitrile?
(E)-5-iminopent-3-enenitrile has a molecular weight of 94.12 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-iminopent-3-enenitrile is sourced from PubChem (CID 123602892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).