(3Z)-4-aminohexa-1,3-dien-3-ol

C6H11NO — CID 130269457

IUPAC(3Z)-4-aminohexa-1,3-dien-3-ol
SMILESC=C/C(O)=C(/N)CC
InChIInChI=1S/C6H11NO/c1-3-5(7)6(8)4-2/h4,8H,2-3,7H2,1H3/b6-5-
InChIKeyHWSWBVKFOCFBOK-WAYWQWQTSA-N
MW113.16 g/mol
LogP1.31
Rot. Bonds2

About (3Z)-4-aminohexa-1,3-dien-3-ol

(3Z)-4-aminohexa-1,3-dien-3-ol (PubChem CID 130269457) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (3Z)-4-aminohexa-1,3-dien-3-ol.

Molecular Properties

Compound Name(3Z)-4-aminohexa-1,3-dien-3-ol
PubChem CID130269457
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(3Z)-4-aminohexa-1,3-dien-3-ol
SMILESC=C/C(O)=C(/N)CC
InChIInChI=1S/C6H11NO/c1-3-5(7)6(8)4-2/h4,8H,2-3,7H2,1H3/b6-5-
InChIKeyHWSWBVKFOCFBOK-WAYWQWQTSA-N
XLogP1.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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

(2Z,4Z)-2-aminohepta-2,4,6-trien-3-ol
CID 88271846
(3Z,5Z)-4-aminohepta-1,3,5-trien-3-ol
CID 117801232
(2Z,4Z)-5-aminohepta-2,4-dien-4-ol
CID 126500173
(2Z,4Z)-2-aminohepta-2,4-dien-3-ol
CID 129054924
(2E,4E)-5-amino-4-methylhexa-2,4-dien-2-ol
CID 129145728
(2Z,4Z)-2-aminohexa-2,4-dien-3-ol
CID 129167820
(3Z)-4-aminohexa-1,3,5-trien-3-ol
CID 129298921
2-Aminocyclohexa-1,5-dien-1-ol
CID 130196657
(3Z,6E)-6-aminoocta-1,3,6-trien-2-ol
CID 130391051
5-Aminocyclohepta-1,4,6-trien-1-ol
CID 138741221
(3E,5E)-6-aminohepta-3,5-dien-3-ol
CID 141772049
(2Z,4Z)-3-aminohepta-2,4-dien-2-ol
CID 142171572

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-aminohexa-1,3-dien-3-ol?
The IUPAC name of (3Z)-4-aminohexa-1,3-dien-3-ol (CID 130269457) is (3Z)-4-aminohexa-1,3-dien-3-ol.
What is the SMILES notation for (3Z)-4-aminohexa-1,3-dien-3-ol?
The canonical SMILES for (3Z)-4-aminohexa-1,3-dien-3-ol is C=C/C(O)=C(/N)CC.
What is the InChIKey of (3Z)-4-aminohexa-1,3-dien-3-ol?
The InChIKey is HWSWBVKFOCFBOK-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-5(7)6(8)4-2/h4,8H,2-3,7H2,1H3/b6-5-.
What are the key properties of (3Z)-4-aminohexa-1,3-dien-3-ol?
(3Z)-4-aminohexa-1,3-dien-3-ol has a molecular weight of 113.16 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-aminohexa-1,3-dien-3-ol is sourced from PubChem (CID 130269457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).