(2Z,4E)-6-amino-5-methylhexa-2,4-diene-2,3-diol

C7H13NO2 — CID 139506611

IUPAC(2Z,4E)-6-amino-5-methylhexa-2,4-diene-2,3-diol
SMILESC/C(O)=C(O)\C=C(/C)CN
InChIInChI=1S/C7H13NO2/c1-5(4-8)3-7(10)6(2)9/h3,9-10H,4,8H2,1-2H3/b5-3+,7-6-
InChIKeyQTQSONTXZRNYLI-WZWXSLMZSA-N
MW143.19 g/mol
LogP1.24
Rot. Bonds2

About (2Z,4E)-6-amino-5-methylhexa-2,4-diene-2,3-diol

(2Z,4E)-6-amino-5-methylhexa-2,4-diene-2,3-diol (PubChem CID 139506611) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (2Z,4E)-6-amino-5-methylhexa-2,4-diene-2,3-diol.

Molecular Properties

Compound Name(2Z,4E)-6-amino-5-methylhexa-2,4-diene-2,3-diol
PubChem CID139506611
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(2Z,4E)-6-amino-5-methylhexa-2,4-diene-2,3-diol
SMILESC/C(O)=C(O)\C=C(/C)CN
InChIInChI=1S/C7H13NO2/c1-5(4-8)3-7(10)6(2)9/h3,9-10H,4,8H2,1-2H3/b5-3+,7-6-
InChIKeyQTQSONTXZRNYLI-WZWXSLMZSA-N
XLogP1.24
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.24
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 (2Z,4E)-6-amino-5-methylhexa-2,4-diene-2,3-diol?
The IUPAC name of (2Z,4E)-6-amino-5-methylhexa-2,4-diene-2,3-diol (CID 139506611) is (2Z,4E)-6-amino-5-methylhexa-2,4-diene-2,3-diol.
What is the SMILES notation for (2Z,4E)-6-amino-5-methylhexa-2,4-diene-2,3-diol?
The canonical SMILES for (2Z,4E)-6-amino-5-methylhexa-2,4-diene-2,3-diol is C/C(O)=C(O)\C=C(/C)CN.
What is the InChIKey of (2Z,4E)-6-amino-5-methylhexa-2,4-diene-2,3-diol?
The InChIKey is QTQSONTXZRNYLI-WZWXSLMZSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(4-8)3-7(10)6(2)9/h3,9-10H,4,8H2,1-2H3/b5-3+,7-6-.
What are the key properties of (2Z,4E)-6-amino-5-methylhexa-2,4-diene-2,3-diol?
(2Z,4E)-6-amino-5-methylhexa-2,4-diene-2,3-diol has a molecular weight of 143.19 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-6-amino-5-methylhexa-2,4-diene-2,3-diol is sourced from PubChem (CID 139506611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).