N-[(1Z,3Z)-3-ethenyl-2-[(Z)-prop-1-enyl]penta-1,3-dienyl]methanimine

C11H15N — CID 118675402

IUPACN-[(1Z,3Z)-3-ethenyl-2-[(Z)-prop-1-enyl]penta-1,3-dienyl]methanimine
SMILESC=CC(=C/C)/C(/C=C\C)=C\N=C
InChIInChI=1S/C11H15N/c1-5-8-11(9-12-4)10(6-2)7-3/h5-9H,2,4H2,1,3H3/b8-5-,10-7-,11-9-
InChIKeyWUOGNNJYHPUJGJ-JLICMYPNSA-N
MW161.25 g/mol
LogP3.28
Rot. Bonds4

About N-[(1Z,3Z)-3-ethenyl-2-[(Z)-prop-1-enyl]penta-1,3-dienyl]methanimine

N-[(1Z,3Z)-3-ethenyl-2-[(Z)-prop-1-enyl]penta-1,3-dienyl]methanimine (PubChem CID 118675402) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-[(1Z,3Z)-3-ethenyl-2-[(Z)-prop-1-enyl]penta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3Z)-3-ethenyl-2-[(Z)-prop-1-enyl]penta-1,3-dienyl]methanimine
PubChem CID118675402
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-[(1Z,3Z)-3-ethenyl-2-[(Z)-prop-1-enyl]penta-1,3-dienyl]methanimine
SMILESC=CC(=C/C)/C(/C=C\C)=C\N=C
InChIInChI=1S/C11H15N/c1-5-8-11(9-12-4)10(6-2)7-3/h5-9H,2,4H2,1,3H3/b8-5-,10-7-,11-9-
InChIKeyWUOGNNJYHPUJGJ-JLICMYPNSA-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 N-[(1Z,3Z)-3-ethenyl-2-[(Z)-prop-1-enyl]penta-1,3-dienyl]methanimine 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 N-[(1Z,3Z)-3-ethenyl-2-[(Z)-prop-1-enyl]penta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3Z)-3-ethenyl-2-[(Z)-prop-1-enyl]penta-1,3-dienyl]methanimine (CID 118675402) is N-[(1Z,3Z)-3-ethenyl-2-[(Z)-prop-1-enyl]penta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3Z)-3-ethenyl-2-[(Z)-prop-1-enyl]penta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3Z)-3-ethenyl-2-[(Z)-prop-1-enyl]penta-1,3-dienyl]methanimine is C=CC(=C/C)/C(/C=C\C)=C\N=C.
What is the InChIKey of N-[(1Z,3Z)-3-ethenyl-2-[(Z)-prop-1-enyl]penta-1,3-dienyl]methanimine?
The InChIKey is WUOGNNJYHPUJGJ-JLICMYPNSA-N. The full InChI is InChI=1S/C11H15N/c1-5-8-11(9-12-4)10(6-2)7-3/h5-9H,2,4H2,1,3H3/b8-5-,10-7-,11-9-.
What are the key properties of N-[(1Z,3Z)-3-ethenyl-2-[(Z)-prop-1-enyl]penta-1,3-dienyl]methanimine?
N-[(1Z,3Z)-3-ethenyl-2-[(Z)-prop-1-enyl]penta-1,3-dienyl]methanimine 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 N-[(1Z,3Z)-3-ethenyl-2-[(Z)-prop-1-enyl]penta-1,3-dienyl]methanimine is sourced from PubChem (CID 118675402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).