(3Z)-3-methanimidoylhexa-1,3,5-triene-2,5-diol

C7H9NO2 — CID 143182820

IUPAC(3Z)-3-methanimidoylhexa-1,3,5-triene-2,5-diol
SMILES[H]/N=C/C(=C/C(=C)O)C(=C)O
InChIInChI=1S/C7H9NO2/c1-5(9)3-7(4-8)6(2)10/h3-4,8-10H,1-2H2/b7-3-,8-4+
InChIKeyGLWYXMNVTTYAMM-KYPMKJFLSA-N
MW139.15 g/mol
LogP1.71
Rot. Bonds3

About (3Z)-3-methanimidoylhexa-1,3,5-triene-2,5-diol

(3Z)-3-methanimidoylhexa-1,3,5-triene-2,5-diol (PubChem CID 143182820) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is (3Z)-3-methanimidoylhexa-1,3,5-triene-2,5-diol.

Molecular Properties

Compound Name(3Z)-3-methanimidoylhexa-1,3,5-triene-2,5-diol
PubChem CID143182820
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name(3Z)-3-methanimidoylhexa-1,3,5-triene-2,5-diol
SMILES[H]/N=C/C(=C/C(=C)O)C(=C)O
InChIInChI=1S/C7H9NO2/c1-5(9)3-7(4-8)6(2)10/h3-4,8-10H,1-2H2/b7-3-,8-4+
InChIKeyGLWYXMNVTTYAMM-KYPMKJFLSA-N
XLogP1.71
TPSA64.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4Z)-4-methanimidoylhepta-2,4,6-trien-3-ol
CID 126695369
(3Z)-3-methanimidoyl-5-methylidenehepta-1,3-dien-2-ol
CID 142016028
(3Z)-3-[(E)-hydrazinylidenemethyl]hexa-1,3,5-trien-2-ol
CID 142257812
(2E,4Z)-4-methanimidoyl-6-methylhepta-2,4,6-trien-3-ol
CID 143341071
(3Z)-5-methanimidoylhexa-1,3,5-trien-2-ol
CID 143933256
7-Methanimidoylcyclohepta-1,4,6-trien-1-ol
CID 144213310
(3Z)-3-methanimidoylhexa-1,3,5-trien-2-ol
CID 145386438
5-Methanimidoyl-3-methylcyclopenta-1,4-dien-1-ol
CID 145591251
(3Z,5E)-5-methanimidoylhepta-1,3,5-trien-2-ol
CID 143193810
(3Z)-5-imino-4-methylpenta-1,3-dien-2-ol
CID 144576007
(E)-3-methanimidoylpent-3-ene-2,2-diol
CID 170592587
(3Z)-4-imino-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-1-en-2-ol
CID 177021081

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-methanimidoylhexa-1,3,5-triene-2,5-diol?
The IUPAC name of (3Z)-3-methanimidoylhexa-1,3,5-triene-2,5-diol (CID 143182820) is (3Z)-3-methanimidoylhexa-1,3,5-triene-2,5-diol.
What is the SMILES notation for (3Z)-3-methanimidoylhexa-1,3,5-triene-2,5-diol?
The canonical SMILES for (3Z)-3-methanimidoylhexa-1,3,5-triene-2,5-diol is [H]/N=C/C(=C/C(=C)O)C(=C)O.
What is the InChIKey of (3Z)-3-methanimidoylhexa-1,3,5-triene-2,5-diol?
The InChIKey is GLWYXMNVTTYAMM-KYPMKJFLSA-N. The full InChI is InChI=1S/C7H9NO2/c1-5(9)3-7(4-8)6(2)10/h3-4,8-10H,1-2H2/b7-3-,8-4+.
What are the key properties of (3Z)-3-methanimidoylhexa-1,3,5-triene-2,5-diol?
(3Z)-3-methanimidoylhexa-1,3,5-triene-2,5-diol has a molecular weight of 139.15 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-methanimidoylhexa-1,3,5-triene-2,5-diol is sourced from PubChem (CID 143182820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).