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

C6H11NO — CID 129167820

IUPAC(2Z,4Z)-2-aminohexa-2,4-dien-3-ol
SMILESC/C=C\C(O)=C(/C)N
InChIInChI=1S/C6H11NO/c1-3-4-6(8)5(2)7/h3-4,8H,7H2,1-2H3/b4-3-,6-5-
InChIKeyLYWSHSGNGASEKJ-OUPQRBNQSA-N
MW113.16 g/mol
LogP1.31
Rot. Bonds1

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

(2Z,4Z)-2-aminohexa-2,4-dien-3-ol (PubChem CID 129167820) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (2Z,4Z)-2-aminohexa-2,4-dien-3-ol.

Molecular Properties

Compound Name(2Z,4Z)-2-aminohexa-2,4-dien-3-ol
PubChem CID129167820
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(2Z,4Z)-2-aminohexa-2,4-dien-3-ol
SMILESC/C=C\C(O)=C(/C)N
InChIInChI=1S/C6H11NO/c1-3-4-6(8)5(2)7/h3-4,8H,7H2,1-2H3/b4-3-,6-5-
InChIKeyLYWSHSGNGASEKJ-OUPQRBNQSA-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

(3Z)-5-aminohexa-1,3,5-trien-2-ol
CID 59906272
3-Aminobenzene-4-id-1-ol;yttrium
CID 59919049
2-Aminobenzene-4-id-1-ol;yttrium
CID 59925088
(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
(2E,4Z,6Z)-5-amino-2-chloroocta-2,4,6-trien-4-ol
CID 89076324
(2E,4E)-5-aminohepta-2,4,6-trien-2-ol
CID 89200493
(2E,4E)-4-aminohexa-2,4-dien-3-ol
CID 89214036
(3Z,5E)-5-aminohepta-1,3,5-trien-2-ol
CID 89221417
(2Z,4E,6E)-6-aminoocta-2,4,6-trien-4-ol
CID 89336217
(3Z,5Z)-3-aminohepta-1,3,5-trien-4-ol
CID 90377140

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2-aminohexa-2,4-dien-3-ol?
The IUPAC name of (2Z,4Z)-2-aminohexa-2,4-dien-3-ol (CID 129167820) is (2Z,4Z)-2-aminohexa-2,4-dien-3-ol.
What is the SMILES notation for (2Z,4Z)-2-aminohexa-2,4-dien-3-ol?
The canonical SMILES for (2Z,4Z)-2-aminohexa-2,4-dien-3-ol is C/C=C\C(O)=C(/C)N.
What is the InChIKey of (2Z,4Z)-2-aminohexa-2,4-dien-3-ol?
The InChIKey is LYWSHSGNGASEKJ-OUPQRBNQSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-4-6(8)5(2)7/h3-4,8H,7H2,1-2H3/b4-3-,6-5-.
What are the key properties of (2Z,4Z)-2-aminohexa-2,4-dien-3-ol?
(2Z,4Z)-2-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 (2Z,4Z)-2-aminohexa-2,4-dien-3-ol is sourced from PubChem (CID 129167820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).