(2E,4E)-5-aminohexa-2,4-dien-2-ol

C6H11NO — CID 135128469

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

About (2E,4E)-5-aminohexa-2,4-dien-2-ol

(2E,4E)-5-aminohexa-2,4-dien-2-ol (PubChem CID 135128469) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (2E,4E)-5-aminohexa-2,4-dien-2-ol.

Molecular Properties

Compound Name(2E,4E)-5-aminohexa-2,4-dien-2-ol
PubChem CID135128469
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(2E,4E)-5-aminohexa-2,4-dien-2-ol
SMILESC/C(N)=C\C=C(/C)O
InChIInChI=1S/C6H11NO/c1-5(7)3-4-6(2)8/h3-4,8H,7H2,1-2H3/b5-3+,6-4+
InChIKeyBVEATDCAAISQDV-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'}

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Related Compounds

(1E,3E)-4-amino-1-fluoropenta-1,3-dien-1-ol
CID 156181650
(2E,4Z)-5-amino-6,6,6-trifluorohexa-2,4-dien-2-ol
CID 153653657
(2Z,4Z)-2-aminohepta-2,4,6-trien-3-ol
CID 88271846
(2E,4E)-5-aminohepta-2,4,6-trien-3-ol
CID 88891478
(3Z,5E)-6-aminohepta-1,3,5-triene-2,3,4-triol
CID 89038514
O-[(2Z)-4-aminopenta-2,4-dien-2-yl]hydroxylamine
CID 89161120
(2E,4E)-5-aminohepta-2,4,6-trien-2-ol
CID 89200493
(2Z,4E,6E)-6-aminoocta-2,4,6-trien-4-ol
CID 89336217
O-[(2E)-4-aminopenta-2,4-dien-2-yl]hydroxylamine
CID 90453737
(3Z,5Z)-4-aminohepta-1,3,5-trien-3-ol
CID 117801232
(2E,4E)-3-amino-5-hydroxyhexa-2,4-dienenitrile
CID 126695723
(2Z,4Z)-2-aminohexa-2,4-dien-3-ol
CID 129167820

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-aminohexa-2,4-dien-2-ol?
The IUPAC name of (2E,4E)-5-aminohexa-2,4-dien-2-ol (CID 135128469) is (2E,4E)-5-aminohexa-2,4-dien-2-ol.
What is the SMILES notation for (2E,4E)-5-aminohexa-2,4-dien-2-ol?
The canonical SMILES for (2E,4E)-5-aminohexa-2,4-dien-2-ol is C/C(N)=C\C=C(/C)O.
What is the InChIKey of (2E,4E)-5-aminohexa-2,4-dien-2-ol?
The InChIKey is BVEATDCAAISQDV-GGWOSOGESA-N. The full InChI is InChI=1S/C6H11NO/c1-5(7)3-4-6(2)8/h3-4,8H,7H2,1-2H3/b5-3+,6-4+.
What are the key properties of (2E,4E)-5-aminohexa-2,4-dien-2-ol?
(2E,4E)-5-aminohexa-2,4-dien-2-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)-5-aminohexa-2,4-dien-2-ol is sourced from PubChem (CID 135128469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).