(2E,4E)-4-aminohexa-2,4-dien-3-ol

C6H11NO — CID 89214036

IUPAC(2E,4E)-4-aminohexa-2,4-dien-3-ol
SMILESC/C=C(N)\C(O)=C/C
InChIInChI=1S/C6H11NO/c1-3-5(7)6(8)4-2/h3-4,8H,7H2,1-2H3/b5-3+,6-4+
InChIKeyGHIASWLEPYVPIJ-GGWOSOGESA-N
MW113.16 g/mol
LogP1.31
Rot. Bonds1

About (2E,4E)-4-aminohexa-2,4-dien-3-ol

(2E,4E)-4-aminohexa-2,4-dien-3-ol (PubChem CID 89214036) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (2E,4E)-4-aminohexa-2,4-dien-3-ol.

Molecular Properties

Compound Name(2E,4E)-4-aminohexa-2,4-dien-3-ol
PubChem CID89214036
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(2E,4E)-4-aminohexa-2,4-dien-3-ol
SMILESC/C=C(N)\C(O)=C/C
InChIInChI=1S/C6H11NO/c1-3-5(7)6(8)4-2/h3-4,8H,7H2,1-2H3/b5-3+,6-4+
InChIKeyGHIASWLEPYVPIJ-GGWOSOGESA-N
XLogP1.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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'}

Analyze (2E,4E)-4-aminohexa-2,4-dien-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-aminohexa-2,4-dien-3-ol?
The IUPAC name of (2E,4E)-4-aminohexa-2,4-dien-3-ol (CID 89214036) is (2E,4E)-4-aminohexa-2,4-dien-3-ol.
What is the SMILES notation for (2E,4E)-4-aminohexa-2,4-dien-3-ol?
The canonical SMILES for (2E,4E)-4-aminohexa-2,4-dien-3-ol is C/C=C(N)\C(O)=C/C.
What is the InChIKey of (2E,4E)-4-aminohexa-2,4-dien-3-ol?
The InChIKey is GHIASWLEPYVPIJ-GGWOSOGESA-N. The full InChI is InChI=1S/C6H11NO/c1-3-5(7)6(8)4-2/h3-4,8H,7H2,1-2H3/b5-3+,6-4+.
What are the key properties of (2E,4E)-4-aminohexa-2,4-dien-3-ol?
(2E,4E)-4-aminohexa-2,4-dien-3-ol has a molecular weight of 113.16 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-aminohexa-2,4-dien-3-ol is sourced from PubChem (CID 89214036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).