(2Z,4E)-5-amino-2-methoxyhexa-2,4-dien-3-ol

C7H13NO2 — CID 126760692

IUPAC(2Z,4E)-5-amino-2-methoxyhexa-2,4-dien-3-ol
SMILESCO/C(C)=C(O)/C=C(\C)N
InChIInChI=1S/C7H13NO2/c1-5(8)4-7(9)6(2)10-3/h4,9H,8H2,1-3H3/b5-4+,7-6-
InChIKeyPKKYXKIQVMWWLI-DEQVHDEQSA-N
MW143.19 g/mol
LogP1.28
Rot. Bonds2

About (2Z,4E)-5-amino-2-methoxyhexa-2,4-dien-3-ol

(2Z,4E)-5-amino-2-methoxyhexa-2,4-dien-3-ol (PubChem CID 126760692) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (2Z,4E)-5-amino-2-methoxyhexa-2,4-dien-3-ol.

Molecular Properties

Compound Name(2Z,4E)-5-amino-2-methoxyhexa-2,4-dien-3-ol
PubChem CID126760692
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(2Z,4E)-5-amino-2-methoxyhexa-2,4-dien-3-ol
SMILESCO/C(C)=C(O)/C=C(\C)N
InChIInChI=1S/C7H13NO2/c1-5(8)4-7(9)6(2)10-3/h4,9H,8H2,1-3H3/b5-4+,7-6-
InChIKeyPKKYXKIQVMWWLI-DEQVHDEQSA-N
XLogP1.28
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-5-amino-2-methoxyhexa-2,4-dien-3-ol?
The IUPAC name of (2Z,4E)-5-amino-2-methoxyhexa-2,4-dien-3-ol (CID 126760692) is (2Z,4E)-5-amino-2-methoxyhexa-2,4-dien-3-ol.
What is the SMILES notation for (2Z,4E)-5-amino-2-methoxyhexa-2,4-dien-3-ol?
The canonical SMILES for (2Z,4E)-5-amino-2-methoxyhexa-2,4-dien-3-ol is CO/C(C)=C(O)/C=C(\C)N.
What is the InChIKey of (2Z,4E)-5-amino-2-methoxyhexa-2,4-dien-3-ol?
The InChIKey is PKKYXKIQVMWWLI-DEQVHDEQSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(8)4-7(9)6(2)10-3/h4,9H,8H2,1-3H3/b5-4+,7-6-.
What are the key properties of (2Z,4E)-5-amino-2-methoxyhexa-2,4-dien-3-ol?
(2Z,4E)-5-amino-2-methoxyhexa-2,4-dien-3-ol has a molecular weight of 143.19 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-amino-2-methoxyhexa-2,4-dien-3-ol is sourced from PubChem (CID 126760692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).