(3Z,5Z,7E)-N-ethenylnona-3,5,7-trien-2-imine

C11H15N — CID 118494749

IUPAC(3Z,5Z,7E)-N-ethenylnona-3,5,7-trien-2-imine
SMILESC=C/N=C(C)/C=C\C=C/C=C/C
InChIInChI=1S/C11H15N/c1-4-6-7-8-9-10-11(3)12-5-2/h4-10H,2H2,1,3H3/b6-4+,8-7-,10-9-,12-11+
InChIKeyZTFXVGBBHQVFPI-MEJZMCHNSA-N
MW161.25 g/mol
LogP3.28
Rot. Bonds4

About (3Z,5Z,7E)-N-ethenylnona-3,5,7-trien-2-imine

(3Z,5Z,7E)-N-ethenylnona-3,5,7-trien-2-imine (PubChem CID 118494749) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (3Z,5Z,7E)-N-ethenylnona-3,5,7-trien-2-imine.

Molecular Properties

Compound Name(3Z,5Z,7E)-N-ethenylnona-3,5,7-trien-2-imine
PubChem CID118494749
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(3Z,5Z,7E)-N-ethenylnona-3,5,7-trien-2-imine
SMILESC=C/N=C(C)/C=C\C=C/C=C/C
InChIInChI=1S/C11H15N/c1-4-6-7-8-9-10-11(3)12-5-2/h4-10H,2H2,1,3H3/b6-4+,8-7-,10-9-,12-11+
InChIKeyZTFXVGBBHQVFPI-MEJZMCHNSA-N
XLogP3.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,5Z,7E)-N-ethenylnona-3,5,7-trien-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 (3Z,5Z,7E)-N-ethenylnona-3,5,7-trien-2-imine?
The IUPAC name of (3Z,5Z,7E)-N-ethenylnona-3,5,7-trien-2-imine (CID 118494749) is (3Z,5Z,7E)-N-ethenylnona-3,5,7-trien-2-imine.
What is the SMILES notation for (3Z,5Z,7E)-N-ethenylnona-3,5,7-trien-2-imine?
The canonical SMILES for (3Z,5Z,7E)-N-ethenylnona-3,5,7-trien-2-imine is C=C/N=C(C)/C=C\C=C/C=C/C.
What is the InChIKey of (3Z,5Z,7E)-N-ethenylnona-3,5,7-trien-2-imine?
The InChIKey is ZTFXVGBBHQVFPI-MEJZMCHNSA-N. The full InChI is InChI=1S/C11H15N/c1-4-6-7-8-9-10-11(3)12-5-2/h4-10H,2H2,1,3H3/b6-4+,8-7-,10-9-,12-11+.
What are the key properties of (3Z,5Z,7E)-N-ethenylnona-3,5,7-trien-2-imine?
(3Z,5Z,7E)-N-ethenylnona-3,5,7-trien-2-imine has a molecular weight of 161.25 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,7E)-N-ethenylnona-3,5,7-trien-2-imine is sourced from PubChem (CID 118494749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).