(3Z)-3-(methyliminomethyl)hexa-3,5-dienal

C8H11NO — CID 143147879

IUPAC(3Z)-3-(methyliminomethyl)hexa-3,5-dienal
SMILESC=C/C=C(\C=N\C)CC=O
InChIInChI=1S/C8H11NO/c1-3-4-8(5-6-10)7-9-2/h3-4,6-7H,1,5H2,2H3/b8-4-,9-7+
InChIKeyDHJSMDNYJNICMU-FBFSCSHHSA-N
MW137.18 g/mol
LogP1.39
Rot. Bonds4

About (3Z)-3-(methyliminomethyl)hexa-3,5-dienal

(3Z)-3-(methyliminomethyl)hexa-3,5-dienal (PubChem CID 143147879) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (3Z)-3-(methyliminomethyl)hexa-3,5-dienal.

Molecular Properties

Compound Name(3Z)-3-(methyliminomethyl)hexa-3,5-dienal
PubChem CID143147879
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(3Z)-3-(methyliminomethyl)hexa-3,5-dienal
SMILESC=C/C=C(\C=N\C)CC=O
InChIInChI=1S/C8H11NO/c1-3-4-8(5-6-10)7-9-2/h3-4,6-7H,1,5H2,2H3/b8-4-,9-7+
InChIKeyDHJSMDNYJNICMU-FBFSCSHHSA-N
XLogP1.39
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-3-(methyliminomethyl)hexa-3,5-dienal 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)-3-(methyliminomethyl)hexa-3,5-dienal?
The IUPAC name of (3Z)-3-(methyliminomethyl)hexa-3,5-dienal (CID 143147879) is (3Z)-3-(methyliminomethyl)hexa-3,5-dienal.
What is the SMILES notation for (3Z)-3-(methyliminomethyl)hexa-3,5-dienal?
The canonical SMILES for (3Z)-3-(methyliminomethyl)hexa-3,5-dienal is C=C/C=C(\C=N\C)CC=O.
What is the InChIKey of (3Z)-3-(methyliminomethyl)hexa-3,5-dienal?
The InChIKey is DHJSMDNYJNICMU-FBFSCSHHSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-4-8(5-6-10)7-9-2/h3-4,6-7H,1,5H2,2H3/b8-4-,9-7+.
What are the key properties of (3Z)-3-(methyliminomethyl)hexa-3,5-dienal?
(3Z)-3-(methyliminomethyl)hexa-3,5-dienal has a molecular weight of 137.18 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(methyliminomethyl)hexa-3,5-dienal is sourced from PubChem (CID 143147879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).