(3Z)-5-aminohexa-1,3,5-trien-2-ol

C6H9NO — CID 59906272

IUPAC(3Z)-5-aminohexa-1,3,5-trien-2-ol
SMILESC=C(N)/C=C\C(=C)O
InChIInChI=1S/C6H9NO/c1-5(7)3-4-6(2)8/h3-4,8H,1-2,7H2/b4-3-
InChIKeyJHTWHFSRAPMYRQ-ARJAWSKDSA-N
MW111.14 g/mol
LogP1.09
Rot. Bonds2

About (3Z)-5-aminohexa-1,3,5-trien-2-ol

(3Z)-5-aminohexa-1,3,5-trien-2-ol (PubChem CID 59906272) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (3Z)-5-aminohexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3Z)-5-aminohexa-1,3,5-trien-2-ol
PubChem CID59906272
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(3Z)-5-aminohexa-1,3,5-trien-2-ol
SMILESC=C(N)/C=C\C(=C)O
InChIInChI=1S/C6H9NO/c1-5(7)3-4-6(2)8/h3-4,8H,1-2,7H2/b4-3-
InChIKeyJHTWHFSRAPMYRQ-ARJAWSKDSA-N
XLogP1.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.09
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'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-aminohexa-1,3,5-trien-2-ol?
The IUPAC name of (3Z)-5-aminohexa-1,3,5-trien-2-ol (CID 59906272) is (3Z)-5-aminohexa-1,3,5-trien-2-ol.
What is the SMILES notation for (3Z)-5-aminohexa-1,3,5-trien-2-ol?
The canonical SMILES for (3Z)-5-aminohexa-1,3,5-trien-2-ol is C=C(N)/C=C\C(=C)O.
What is the InChIKey of (3Z)-5-aminohexa-1,3,5-trien-2-ol?
The InChIKey is JHTWHFSRAPMYRQ-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H9NO/c1-5(7)3-4-6(2)8/h3-4,8H,1-2,7H2/b4-3-.
What are the key properties of (3Z)-5-aminohexa-1,3,5-trien-2-ol?
(3Z)-5-aminohexa-1,3,5-trien-2-ol has a molecular weight of 111.14 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-aminohexa-1,3,5-trien-2-ol is sourced from PubChem (CID 59906272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).