(3E,5Z)-5-(aminomethyl)octa-1,3,5,7-tetraen-4-ol

C9H13NO — CID 174296969

IUPAC(3E,5Z)-5-(aminomethyl)octa-1,3,5,7-tetraen-4-ol
SMILESC=C/C=C(CN)\C(O)=C/C=C
InChIInChI=1S/C9H13NO/c1-3-5-8(7-10)9(11)6-4-2/h3-6,11H,1-2,7,10H2/b8-5-,9-6+
InChIKeyABCWWZBIBXOENF-LDFAFZTOSA-N
MW151.21 g/mol
LogP1.69
Rot. Bonds4

About (3E,5Z)-5-(aminomethyl)octa-1,3,5,7-tetraen-4-ol

(3E,5Z)-5-(aminomethyl)octa-1,3,5,7-tetraen-4-ol (PubChem CID 174296969) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (3E,5Z)-5-(aminomethyl)octa-1,3,5,7-tetraen-4-ol.

Molecular Properties

Compound Name(3E,5Z)-5-(aminomethyl)octa-1,3,5,7-tetraen-4-ol
PubChem CID174296969
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(3E,5Z)-5-(aminomethyl)octa-1,3,5,7-tetraen-4-ol
SMILESC=C/C=C(CN)\C(O)=C/C=C
InChIInChI=1S/C9H13NO/c1-3-5-8(7-10)9(11)6-4-2/h3-6,11H,1-2,7,10H2/b8-5-,9-6+
InChIKeyABCWWZBIBXOENF-LDFAFZTOSA-N
XLogP1.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E,5Z)-5-(aminomethyl)octa-1,3,5,7-tetraen-4-ol 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 (3E,5Z)-5-(aminomethyl)octa-1,3,5,7-tetraen-4-ol?
The IUPAC name of (3E,5Z)-5-(aminomethyl)octa-1,3,5,7-tetraen-4-ol (CID 174296969) is (3E,5Z)-5-(aminomethyl)octa-1,3,5,7-tetraen-4-ol.
What is the SMILES notation for (3E,5Z)-5-(aminomethyl)octa-1,3,5,7-tetraen-4-ol?
The canonical SMILES for (3E,5Z)-5-(aminomethyl)octa-1,3,5,7-tetraen-4-ol is C=C/C=C(CN)\C(O)=C/C=C.
What is the InChIKey of (3E,5Z)-5-(aminomethyl)octa-1,3,5,7-tetraen-4-ol?
The InChIKey is ABCWWZBIBXOENF-LDFAFZTOSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-5-8(7-10)9(11)6-4-2/h3-6,11H,1-2,7,10H2/b8-5-,9-6+.
What are the key properties of (3E,5Z)-5-(aminomethyl)octa-1,3,5,7-tetraen-4-ol?
(3E,5Z)-5-(aminomethyl)octa-1,3,5,7-tetraen-4-ol has a molecular weight of 151.21 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-5-(aminomethyl)octa-1,3,5,7-tetraen-4-ol is sourced from PubChem (CID 174296969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).