(E)-2-aminohex-4-ene-1,3-diol

C6H13NO2 — CID 23521830

IUPAC(E)-2-aminohex-4-ene-1,3-diol
SMILESC/C=C/C(O)C(N)CO
InChIInChI=1S/C6H13NO2/c1-2-3-6(9)5(7)4-8/h2-3,5-6,8-9H,4,7H2,1H3/b3-2+
InChIKeyNEMDEAKTUXYLHL-NSCUHMNNSA-N
MW131.17 g/mol
LogP-0.76
Rot. Bonds3

About (E)-2-aminohex-4-ene-1,3-diol

(E)-2-aminohex-4-ene-1,3-diol (PubChem CID 23521830) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is (E)-2-aminohex-4-ene-1,3-diol.

Molecular Properties

Compound Name(E)-2-aminohex-4-ene-1,3-diol
PubChem CID23521830
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name(E)-2-aminohex-4-ene-1,3-diol
SMILESC/C=C/C(O)C(N)CO
InChIInChI=1S/C6H13NO2/c1-2-3-6(9)5(7)4-8/h2-3,5-6,8-9H,4,7H2,1H3/b3-2+
InChIKeyNEMDEAKTUXYLHL-NSCUHMNNSA-N
XLogP-0.76
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-aminohex-4-ene-1,3-diol?
The IUPAC name of (E)-2-aminohex-4-ene-1,3-diol (CID 23521830) is (E)-2-aminohex-4-ene-1,3-diol.
What is the SMILES notation for (E)-2-aminohex-4-ene-1,3-diol?
The canonical SMILES for (E)-2-aminohex-4-ene-1,3-diol is C/C=C/C(O)C(N)CO.
What is the InChIKey of (E)-2-aminohex-4-ene-1,3-diol?
The InChIKey is NEMDEAKTUXYLHL-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H13NO2/c1-2-3-6(9)5(7)4-8/h2-3,5-6,8-9H,4,7H2,1H3/b3-2+.
What are the key properties of (E)-2-aminohex-4-ene-1,3-diol?
(E)-2-aminohex-4-ene-1,3-diol has a molecular weight of 131.17 g/mol, XLogP of -0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-aminohex-4-ene-1,3-diol is sourced from PubChem (CID 23521830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).