(3Z,5E)-8-aminoocta-1,3,5-triene-3,4-diol

C8H13NO2 — CID 130470797

IUPAC(3Z,5E)-8-aminoocta-1,3,5-triene-3,4-diol
SMILESC=C/C(O)=C(O)\C=C\CCN
InChIInChI=1S/C8H13NO2/c1-2-7(10)8(11)5-3-4-6-9/h2-3,5,10-11H,1,4,6,9H2/b5-3+,8-7-
InChIKeyCCWCBVAMUBNCGT-AXDYLVROSA-N
MW155.20 g/mol
LogP1.40
Rot. Bonds4

About (3Z,5E)-8-aminoocta-1,3,5-triene-3,4-diol

(3Z,5E)-8-aminoocta-1,3,5-triene-3,4-diol (PubChem CID 130470797) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (3Z,5E)-8-aminoocta-1,3,5-triene-3,4-diol.

Molecular Properties

Compound Name(3Z,5E)-8-aminoocta-1,3,5-triene-3,4-diol
PubChem CID130470797
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(3Z,5E)-8-aminoocta-1,3,5-triene-3,4-diol
SMILESC=C/C(O)=C(O)\C=C\CCN
InChIInChI=1S/C8H13NO2/c1-2-7(10)8(11)5-3-4-6-9/h2-3,5,10-11H,1,4,6,9H2/b5-3+,8-7-
InChIKeyCCWCBVAMUBNCGT-AXDYLVROSA-N
XLogP1.40
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-8-aminoocta-1,3,5-triene-3,4-diol?
The IUPAC name of (3Z,5E)-8-aminoocta-1,3,5-triene-3,4-diol (CID 130470797) is (3Z,5E)-8-aminoocta-1,3,5-triene-3,4-diol.
What is the SMILES notation for (3Z,5E)-8-aminoocta-1,3,5-triene-3,4-diol?
The canonical SMILES for (3Z,5E)-8-aminoocta-1,3,5-triene-3,4-diol is C=C/C(O)=C(O)\C=C\CCN.
What is the InChIKey of (3Z,5E)-8-aminoocta-1,3,5-triene-3,4-diol?
The InChIKey is CCWCBVAMUBNCGT-AXDYLVROSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-7(10)8(11)5-3-4-6-9/h2-3,5,10-11H,1,4,6,9H2/b5-3+,8-7-.
What are the key properties of (3Z,5E)-8-aminoocta-1,3,5-triene-3,4-diol?
(3Z,5E)-8-aminoocta-1,3,5-triene-3,4-diol has a molecular weight of 155.20 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-8-aminoocta-1,3,5-triene-3,4-diol is sourced from PubChem (CID 130470797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).