(3E,5Z)-6-aminohexa-3,5-diene-2,3-diol

C6H11NO2 — CID 163851221

IUPAC(3E,5Z)-6-aminohexa-3,5-diene-2,3-diol
SMILESCC(O)/C(O)=C\C=C/N
InChIInChI=1S/C6H11NO2/c1-5(8)6(9)3-2-4-7/h2-5,8-9H,7H2,1H3/b4-2-,6-3+
InChIKeyOUNLZWJXQZLLAW-MDNDHVJUSA-N
MW129.16 g/mol
LogP0.28
Rot. Bonds2

About (3E,5Z)-6-aminohexa-3,5-diene-2,3-diol

(3E,5Z)-6-aminohexa-3,5-diene-2,3-diol (PubChem CID 163851221) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (3E,5Z)-6-aminohexa-3,5-diene-2,3-diol.

Molecular Properties

Compound Name(3E,5Z)-6-aminohexa-3,5-diene-2,3-diol
PubChem CID163851221
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(3E,5Z)-6-aminohexa-3,5-diene-2,3-diol
SMILESCC(O)/C(O)=C\C=C/N
InChIInChI=1S/C6H11NO2/c1-5(8)6(9)3-2-4-7/h2-5,8-9H,7H2,1H3/b4-2-,6-3+
InChIKeyOUNLZWJXQZLLAW-MDNDHVJUSA-N
XLogP0.28
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.28
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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Related Compounds

(1E,3E,5E)-6-amino-5-methylhexa-1,3,5-triene-1,4-diol
CID 143661098
(3E,5E)-6-amino-2-methylhexa-3,5-diene-1,4,5-triol
CID 164088016
7-Aminohepta-4,6-diene-1,5-diol
CID 173259562

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-6-aminohexa-3,5-diene-2,3-diol?
The IUPAC name of (3E,5Z)-6-aminohexa-3,5-diene-2,3-diol (CID 163851221) is (3E,5Z)-6-aminohexa-3,5-diene-2,3-diol.
What is the SMILES notation for (3E,5Z)-6-aminohexa-3,5-diene-2,3-diol?
The canonical SMILES for (3E,5Z)-6-aminohexa-3,5-diene-2,3-diol is CC(O)/C(O)=C\C=C/N.
What is the InChIKey of (3E,5Z)-6-aminohexa-3,5-diene-2,3-diol?
The InChIKey is OUNLZWJXQZLLAW-MDNDHVJUSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(8)6(9)3-2-4-7/h2-5,8-9H,7H2,1H3/b4-2-,6-3+.
What are the key properties of (3E,5Z)-6-aminohexa-3,5-diene-2,3-diol?
(3E,5Z)-6-aminohexa-3,5-diene-2,3-diol has a molecular weight of 129.16 g/mol, XLogP of 0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-6-aminohexa-3,5-diene-2,3-diol is sourced from PubChem (CID 163851221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).