(3E)-3-aminohexa-1,3-dien-2-ol

C6H11NO — CID 134388416

IUPAC(3E)-3-aminohexa-1,3-dien-2-ol
SMILESC=C(O)/C(N)=C\CC
InChIInChI=1S/C6H11NO/c1-3-4-6(7)5(2)8/h4,8H,2-3,7H2,1H3/b6-4+
InChIKeyLQSWJMXRXVBGFR-GQCTYLIASA-N
MW113.16 g/mol
LogP1.31
Rot. Bonds2

About (3E)-3-aminohexa-1,3-dien-2-ol

(3E)-3-aminohexa-1,3-dien-2-ol (PubChem CID 134388416) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (3E)-3-aminohexa-1,3-dien-2-ol.

Molecular Properties

Compound Name(3E)-3-aminohexa-1,3-dien-2-ol
PubChem CID134388416
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(3E)-3-aminohexa-1,3-dien-2-ol
SMILESC=C(O)/C(N)=C\CC
InChIInChI=1S/C6H11NO/c1-3-4-6(7)5(2)8/h4,8H,2-3,7H2,1H3/b6-4+
InChIKeyLQSWJMXRXVBGFR-GQCTYLIASA-N
XLogP1.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.31
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 (3E)-3-aminohexa-1,3-dien-2-ol?
The IUPAC name of (3E)-3-aminohexa-1,3-dien-2-ol (CID 134388416) is (3E)-3-aminohexa-1,3-dien-2-ol.
What is the SMILES notation for (3E)-3-aminohexa-1,3-dien-2-ol?
The canonical SMILES for (3E)-3-aminohexa-1,3-dien-2-ol is C=C(O)/C(N)=C\CC.
What is the InChIKey of (3E)-3-aminohexa-1,3-dien-2-ol?
The InChIKey is LQSWJMXRXVBGFR-GQCTYLIASA-N. The full InChI is InChI=1S/C6H11NO/c1-3-4-6(7)5(2)8/h4,8H,2-3,7H2,1H3/b6-4+.
What are the key properties of (3E)-3-aminohexa-1,3-dien-2-ol?
(3E)-3-aminohexa-1,3-dien-2-ol has a molecular weight of 113.16 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-aminohexa-1,3-dien-2-ol is sourced from PubChem (CID 134388416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).