(3E,5Z)-6-aminohexa-1,3,5-trien-3-ol

C6H9NO — CID 89205385

IUPAC(3E,5Z)-6-aminohexa-1,3,5-trien-3-ol
SMILESC=C/C(O)=C\C=C/N
InChIInChI=1S/C6H9NO/c1-2-6(8)4-3-5-7/h2-5,8H,1,7H2/b5-3-,6-4+
InChIKeyVDLIBLGYPLAENE-CIIODKQPSA-N
MW111.14 g/mol
LogP1.09
Rot. Bonds2

About (3E,5Z)-6-aminohexa-1,3,5-trien-3-ol

(3E,5Z)-6-aminohexa-1,3,5-trien-3-ol (PubChem CID 89205385) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (3E,5Z)-6-aminohexa-1,3,5-trien-3-ol.

Molecular Properties

Compound Name(3E,5Z)-6-aminohexa-1,3,5-trien-3-ol
PubChem CID89205385
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(3E,5Z)-6-aminohexa-1,3,5-trien-3-ol
SMILESC=C/C(O)=C\C=C/N
InChIInChI=1S/C6H9NO/c1-2-6(8)4-3-5-7/h2-5,8H,1,7H2/b5-3-,6-4+
InChIKeyVDLIBLGYPLAENE-CIIODKQPSA-N
XLogP1.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.09
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

1H-azepin-4-ol
CID 19710549
5-Aminopenta-2,4-dien-1-ol
CID 76224447
(3E,5Z)-6-amino-4-methylhexa-1,3,5-trien-3-ol
CID 88560254
CID 89050098
CID 89050098
(2E,4E,6E)-7-amino-5-chlorohepta-2,4,6-trien-2-ol
CID 89060582
(3Z,5Z)-4,6-diaminohexa-1,3,5-trien-3-ol
CID 89091612
(1Z,3E)-1-amino-4-methylhexa-1,3,5-trien-3-ol
CID 89344463
(2E,4Z,6E)-7-aminohepta-2,4,6-trien-3-ol
CID 89381406
(1Z,3E)-1-amino-5-iodopenta-1,3-dien-3-ol
CID 117707009
(2E,4Z)-5-(methylamino)penta-2,4-dien-2-ol
CID 129289034
O-[(1E,3Z)-1-aminopenta-1,3-dien-3-yl]hydroxylamine
CID 138486996
(2E,4Z)-5-aminopenta-2,4-dien-2-ol
CID 142960560

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-6-aminohexa-1,3,5-trien-3-ol?
The IUPAC name of (3E,5Z)-6-aminohexa-1,3,5-trien-3-ol (CID 89205385) is (3E,5Z)-6-aminohexa-1,3,5-trien-3-ol.
What is the SMILES notation for (3E,5Z)-6-aminohexa-1,3,5-trien-3-ol?
The canonical SMILES for (3E,5Z)-6-aminohexa-1,3,5-trien-3-ol is C=C/C(O)=C\C=C/N.
What is the InChIKey of (3E,5Z)-6-aminohexa-1,3,5-trien-3-ol?
The InChIKey is VDLIBLGYPLAENE-CIIODKQPSA-N. The full InChI is InChI=1S/C6H9NO/c1-2-6(8)4-3-5-7/h2-5,8H,1,7H2/b5-3-,6-4+.
What are the key properties of (3E,5Z)-6-aminohexa-1,3,5-trien-3-ol?
(3E,5Z)-6-aminohexa-1,3,5-trien-3-ol has a molecular weight of 111.14 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-6-aminohexa-1,3,5-trien-3-ol is sourced from PubChem (CID 89205385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).