(2Z,4E,6E)-6-aminoocta-2,4,6-trien-4-ol

C8H13NO — CID 89336217

IUPAC(2Z,4E,6E)-6-aminoocta-2,4,6-trien-4-ol
SMILESC/C=C\C(O)=C/C(N)=C\C
InChIInChI=1S/C8H13NO/c1-3-5-8(10)6-7(9)4-2/h3-6,10H,9H2,1-2H3/b5-3-,7-4+,8-6+
InChIKeySWMAILUOXWELSB-MCEUHYDUSA-N
MW139.20 g/mol
LogP1.87
Rot. Bonds2

About (2Z,4E,6E)-6-aminoocta-2,4,6-trien-4-ol

(2Z,4E,6E)-6-aminoocta-2,4,6-trien-4-ol (PubChem CID 89336217) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (2Z,4E,6E)-6-aminoocta-2,4,6-trien-4-ol.

Molecular Properties

Compound Name(2Z,4E,6E)-6-aminoocta-2,4,6-trien-4-ol
PubChem CID89336217
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(2Z,4E,6E)-6-aminoocta-2,4,6-trien-4-ol
SMILESC/C=C\C(O)=C/C(N)=C\C
InChIInChI=1S/C8H13NO/c1-3-5-8(10)6-7(9)4-2/h3-6,10H,9H2,1-2H3/b5-3-,7-4+,8-6+
InChIKeySWMAILUOXWELSB-MCEUHYDUSA-N
XLogP1.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.87
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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Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6E)-6-aminoocta-2,4,6-trien-4-ol?
The IUPAC name of (2Z,4E,6E)-6-aminoocta-2,4,6-trien-4-ol (CID 89336217) is (2Z,4E,6E)-6-aminoocta-2,4,6-trien-4-ol.
What is the SMILES notation for (2Z,4E,6E)-6-aminoocta-2,4,6-trien-4-ol?
The canonical SMILES for (2Z,4E,6E)-6-aminoocta-2,4,6-trien-4-ol is C/C=C\C(O)=C/C(N)=C\C.
What is the InChIKey of (2Z,4E,6E)-6-aminoocta-2,4,6-trien-4-ol?
The InChIKey is SWMAILUOXWELSB-MCEUHYDUSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-5-8(10)6-7(9)4-2/h3-6,10H,9H2,1-2H3/b5-3-,7-4+,8-6+.
What are the key properties of (2Z,4E,6E)-6-aminoocta-2,4,6-trien-4-ol?
(2Z,4E,6E)-6-aminoocta-2,4,6-trien-4-ol has a molecular weight of 139.20 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E)-6-aminoocta-2,4,6-trien-4-ol is sourced from PubChem (CID 89336217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).