(2Z,4E,6Z)-4-aminoocta-2,4,6-trienal

C8H11NO — CID 143959899

IUPAC(2Z,4E,6Z)-4-aminoocta-2,4,6-trienal
SMILESC/C=C\C=C(N)/C=C\C=O
InChIInChI=1S/C8H11NO/c1-2-3-5-8(9)6-4-7-10/h2-7H,9H2,1H3/b3-2-,6-4-,8-5+
InChIKeyZVGLXSSUBBZALA-ZVMWILNTSA-N
MW137.18 g/mol
LogP1.16
Rot. Bonds3

About (2Z,4E,6Z)-4-aminoocta-2,4,6-trienal

(2Z,4E,6Z)-4-aminoocta-2,4,6-trienal (PubChem CID 143959899) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (2Z,4E,6Z)-4-aminoocta-2,4,6-trienal.

Molecular Properties

Compound Name(2Z,4E,6Z)-4-aminoocta-2,4,6-trienal
PubChem CID143959899
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(2Z,4E,6Z)-4-aminoocta-2,4,6-trienal
SMILESC/C=C\C=C(N)/C=C\C=O
InChIInChI=1S/C8H11NO/c1-2-3-5-8(9)6-4-7-10/h2-7H,9H2,1H3/b3-2-,6-4-,8-5+
InChIKeyZVGLXSSUBBZALA-ZVMWILNTSA-N
XLogP1.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4E,6Z)-4-aminoocta-2,4,6-trienal 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 (2Z,4E,6Z)-4-aminoocta-2,4,6-trienal?
The IUPAC name of (2Z,4E,6Z)-4-aminoocta-2,4,6-trienal (CID 143959899) is (2Z,4E,6Z)-4-aminoocta-2,4,6-trienal.
What is the SMILES notation for (2Z,4E,6Z)-4-aminoocta-2,4,6-trienal?
The canonical SMILES for (2Z,4E,6Z)-4-aminoocta-2,4,6-trienal is C/C=C\C=C(N)/C=C\C=O.
What is the InChIKey of (2Z,4E,6Z)-4-aminoocta-2,4,6-trienal?
The InChIKey is ZVGLXSSUBBZALA-ZVMWILNTSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-3-5-8(9)6-4-7-10/h2-7H,9H2,1H3/b3-2-,6-4-,8-5+.
What are the key properties of (2Z,4E,6Z)-4-aminoocta-2,4,6-trienal?
(2Z,4E,6Z)-4-aminoocta-2,4,6-trienal has a molecular weight of 137.18 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6Z)-4-aminoocta-2,4,6-trienal is sourced from PubChem (CID 143959899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).