1-aminohex-5-ene-2,3,4-triol

C6H13NO3 — CID 75252970

IUPAC1-aminohex-5-ene-2,3,4-triol
SMILESC=CC(O)C(O)C(O)CN
InChIInChI=1S/C6H13NO3/c1-2-4(8)6(10)5(9)3-7/h2,4-6,8-10H,1,3,7H2
InChIKeyPEKDXFIRUCNGGW-UHFFFAOYSA-N
MW147.17 g/mol
LogP-1.79
Rot. Bonds4

About 1-aminohex-5-ene-2,3,4-triol

1-aminohex-5-ene-2,3,4-triol (PubChem CID 75252970) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 1-aminohex-5-ene-2,3,4-triol.

Molecular Properties

Compound Name1-aminohex-5-ene-2,3,4-triol
PubChem CID75252970
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name1-aminohex-5-ene-2,3,4-triol
SMILESC=CC(O)C(O)C(O)CN
InChIInChI=1S/C6H13NO3/c1-2-4(8)6(10)5(9)3-7/h2,4-6,8-10H,1,3,7H2
InChIKeyPEKDXFIRUCNGGW-UHFFFAOYSA-N
XLogP-1.79
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-1.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4R,5S,6S)-1-aminonon-8-ene-2,3,4,5,6-pentol
CID 101232405
(2S,3S,4R,5S)-hept-6-ene-1,2,3,4,5-pentol
CID 154708941
(3R,4R)-hex-5-ene-1,3,4-triol
CID 121404469
(4S)-hexa-1,5-diene-3,4-diol
CID 15562511
(2S,3S)-pent-4-ene-1,2,3-triol
CID 641010
(2R,3S,4S,5R)-6-aminohexane-1,2,3,4,5-pentol
CID 22863347
(2S,3S,4S,5S)-1-aminohexane-2,3,4,5-tetrol
CID 22861300
(2R,3S)-1-(hydroxyamino)pent-4-ene-2,3-diol
CID 101063277
magnesium;(2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;hydride
CID 173212793
(2R,3S)-1-(methylamino)pent-4-ene-2,3-diol
CID 46933718
(2S,3R,4S)-5-amino-2,3,4-trihydroxypentanoic acid
CID 135189043
4-ethenylhexa-1,5-dien-3-ol
CID 15402805

Frequently Asked Questions

What is the IUPAC name of 1-aminohex-5-ene-2,3,4-triol?
The IUPAC name of 1-aminohex-5-ene-2,3,4-triol (CID 75252970) is 1-aminohex-5-ene-2,3,4-triol.
What is the SMILES notation for 1-aminohex-5-ene-2,3,4-triol?
The canonical SMILES for 1-aminohex-5-ene-2,3,4-triol is C=CC(O)C(O)C(O)CN.
What is the InChIKey of 1-aminohex-5-ene-2,3,4-triol?
The InChIKey is PEKDXFIRUCNGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-2-4(8)6(10)5(9)3-7/h2,4-6,8-10H,1,3,7H2.
What are the key properties of 1-aminohex-5-ene-2,3,4-triol?
1-aminohex-5-ene-2,3,4-triol has a molecular weight of 147.17 g/mol, XLogP of -1.79, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminohex-5-ene-2,3,4-triol is sourced from PubChem (CID 75252970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).