(1E,3E,5E)-6-amino-5-methylhexa-1,3,5-triene-1,4-diol

C7H11NO2 — CID 143661098

IUPAC(1E,3E,5E)-6-amino-5-methylhexa-1,3,5-triene-1,4-diol
SMILESCC(=C\N)/C(O)=C\C=C\O
InChIInChI=1S/C7H11NO2/c1-6(5-8)7(10)3-2-4-9/h2-5,9-10H,8H2,1H3/b4-2+,6-5+,7-3+
InChIKeySSGDRIQVCIQAJI-YZUJEAJNSA-N
MW141.17 g/mol
LogP1.36
Rot. Bonds2

About (1E,3E,5E)-6-amino-5-methylhexa-1,3,5-triene-1,4-diol

(1E,3E,5E)-6-amino-5-methylhexa-1,3,5-triene-1,4-diol (PubChem CID 143661098) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (1E,3E,5E)-6-amino-5-methylhexa-1,3,5-triene-1,4-diol.

Molecular Properties

Compound Name(1E,3E,5E)-6-amino-5-methylhexa-1,3,5-triene-1,4-diol
PubChem CID143661098
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(1E,3E,5E)-6-amino-5-methylhexa-1,3,5-triene-1,4-diol
SMILESCC(=C\N)/C(O)=C\C=C\O
InChIInChI=1S/C7H11NO2/c1-6(5-8)7(10)3-2-4-9/h2-5,9-10H,8H2,1H3/b4-2+,6-5+,7-3+
InChIKeySSGDRIQVCIQAJI-YZUJEAJNSA-N
XLogP1.36
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.36
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

(3Z,5Z)-6-amino-5-methylhexa-1,3,5-trien-2-ol
CID 87152872
(1E,3Z)-1-amino-5-methylhexa-1,3,5-trien-2-ol
CID 88274704
(3Z,5Z)-6-amino-4-ethyl-2-methylidenehexa-3,5-dien-1-ol
CID 89208831
(3E)-3-[(Z)-2-aminoethenyl]hexa-3,5-dien-2-ol
CID 89374291
[(7Z)-7-ethylidene-6-methyl-2H-oxazepin-4-yl]methanol
CID 129214884
(Z,2E)-1-amino-2-(aminomethylidene)hex-3-en-1-ol
CID 132159494
(1E,3E,5Z)-1-amino-5-methylhepta-1,3,5-trien-4-ol
CID 145586007
(Z,5Z)-5-(aminomethylidene)-2-methylidenehept-3-en-1-ol
CID 156799800
(2Z,4Z)-4-(aminomethyl)hexa-2,4-diene-1,5-diol
CID 163501067
(3E,5Z)-6-aminohexa-3,5-diene-2,3-diol
CID 163851221
7-Aminohepta-4,6-diene-1,5-diol
CID 173259562
(3E,4Z)-3-(aminomethylidene)hexa-1,4-dien-2-ol
CID 142197497

Frequently Asked Questions

What is the IUPAC name of (1E,3E,5E)-6-amino-5-methylhexa-1,3,5-triene-1,4-diol?
The IUPAC name of (1E,3E,5E)-6-amino-5-methylhexa-1,3,5-triene-1,4-diol (CID 143661098) is (1E,3E,5E)-6-amino-5-methylhexa-1,3,5-triene-1,4-diol.
What is the SMILES notation for (1E,3E,5E)-6-amino-5-methylhexa-1,3,5-triene-1,4-diol?
The canonical SMILES for (1E,3E,5E)-6-amino-5-methylhexa-1,3,5-triene-1,4-diol is CC(=C\N)/C(O)=C\C=C\O.
What is the InChIKey of (1E,3E,5E)-6-amino-5-methylhexa-1,3,5-triene-1,4-diol?
The InChIKey is SSGDRIQVCIQAJI-YZUJEAJNSA-N. The full InChI is InChI=1S/C7H11NO2/c1-6(5-8)7(10)3-2-4-9/h2-5,9-10H,8H2,1H3/b4-2+,6-5+,7-3+.
What are the key properties of (1E,3E,5E)-6-amino-5-methylhexa-1,3,5-triene-1,4-diol?
(1E,3E,5E)-6-amino-5-methylhexa-1,3,5-triene-1,4-diol has a molecular weight of 141.17 g/mol, XLogP of 1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5E)-6-amino-5-methylhexa-1,3,5-triene-1,4-diol is sourced from PubChem (CID 143661098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).