(Z)-3-methyl-4-phosphanylpent-3-en-2-imine

C6H12NP — CID 89132193

IUPAC(Z)-3-methyl-4-phosphanylpent-3-en-2-imine
SMILES[H]/N=C(C)/C(C)=C(/C)P
InChIInChI=1S/C6H12NP/c1-4(5(2)7)6(3)8/h7H,8H2,1-3H3/b6-4-,7-5+
InChIKeyAKEZVCKLXNPWLP-XGXWUAJZSA-N
MW129.14 g/mol
LogP2.20
Rot. Bonds1

About (Z)-3-methyl-4-phosphanylpent-3-en-2-imine

(Z)-3-methyl-4-phosphanylpent-3-en-2-imine (PubChem CID 89132193) has the molecular formula C6H12NP and a molecular weight of 129.14 g/mol. Its IUPAC name is (Z)-3-methyl-4-phosphanylpent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-3-methyl-4-phosphanylpent-3-en-2-imine
PubChem CID89132193
Molecular FormulaC6H12NP
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name(Z)-3-methyl-4-phosphanylpent-3-en-2-imine
SMILES[H]/N=C(C)/C(C)=C(/C)P
InChIInChI=1S/C6H12NP/c1-4(5(2)7)6(3)8/h7H,8H2,1-3H3/b6-4-,7-5+
InChIKeyAKEZVCKLXNPWLP-XGXWUAJZSA-N
XLogP2.20
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-3-methyl-4-phosphanylpent-3-en-2-imine 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-methyl-4-phosphanylpent-3-en-2-imine?
The IUPAC name of (Z)-3-methyl-4-phosphanylpent-3-en-2-imine (CID 89132193) is (Z)-3-methyl-4-phosphanylpent-3-en-2-imine.
What is the SMILES notation for (Z)-3-methyl-4-phosphanylpent-3-en-2-imine?
The canonical SMILES for (Z)-3-methyl-4-phosphanylpent-3-en-2-imine is [H]/N=C(C)/C(C)=C(/C)P.
What is the InChIKey of (Z)-3-methyl-4-phosphanylpent-3-en-2-imine?
The InChIKey is AKEZVCKLXNPWLP-XGXWUAJZSA-N. The full InChI is InChI=1S/C6H12NP/c1-4(5(2)7)6(3)8/h7H,8H2,1-3H3/b6-4-,7-5+.
What are the key properties of (Z)-3-methyl-4-phosphanylpent-3-en-2-imine?
(Z)-3-methyl-4-phosphanylpent-3-en-2-imine has a molecular weight of 129.14 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-4-phosphanylpent-3-en-2-imine is sourced from PubChem (CID 89132193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).