(Z)-3-amino-2-ethenyl-4-methylpent-2-enenitrile

C8H12N2 — CID 130268772

IUPAC(Z)-3-amino-2-ethenyl-4-methylpent-2-enenitrile
SMILESC=C/C(C#N)=C(/N)C(C)C
InChIInChI=1S/C8H12N2/c1-4-7(5-9)8(10)6(2)3/h4,6H,1,10H2,2-3H3/b8-7-
InChIKeyIZMKUCKZHCMOJP-FPLPWBNLSA-N
MW136.20 g/mol
LogP1.56
Rot. Bonds2

About (Z)-3-amino-2-ethenyl-4-methylpent-2-enenitrile

(Z)-3-amino-2-ethenyl-4-methylpent-2-enenitrile (PubChem CID 130268772) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (Z)-3-amino-2-ethenyl-4-methylpent-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-amino-2-ethenyl-4-methylpent-2-enenitrile
PubChem CID130268772
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(Z)-3-amino-2-ethenyl-4-methylpent-2-enenitrile
SMILESC=C/C(C#N)=C(/N)C(C)C
InChIInChI=1S/C8H12N2/c1-4-7(5-9)8(10)6(2)3/h4,6H,1,10H2,2-3H3/b8-7-
InChIKeyIZMKUCKZHCMOJP-FPLPWBNLSA-N
XLogP1.56
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-3-amino-2-ethenyl-4-methylpent-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 (Z)-3-amino-2-ethenyl-4-methylpent-2-enenitrile?
The IUPAC name of (Z)-3-amino-2-ethenyl-4-methylpent-2-enenitrile (CID 130268772) is (Z)-3-amino-2-ethenyl-4-methylpent-2-enenitrile.
What is the SMILES notation for (Z)-3-amino-2-ethenyl-4-methylpent-2-enenitrile?
The canonical SMILES for (Z)-3-amino-2-ethenyl-4-methylpent-2-enenitrile is C=C/C(C#N)=C(/N)C(C)C.
What is the InChIKey of (Z)-3-amino-2-ethenyl-4-methylpent-2-enenitrile?
The InChIKey is IZMKUCKZHCMOJP-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-7(5-9)8(10)6(2)3/h4,6H,1,10H2,2-3H3/b8-7-.
What are the key properties of (Z)-3-amino-2-ethenyl-4-methylpent-2-enenitrile?
(Z)-3-amino-2-ethenyl-4-methylpent-2-enenitrile has a molecular weight of 136.20 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-ethenyl-4-methylpent-2-enenitrile is sourced from PubChem (CID 130268772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).