5-[(Z)-hydroxyiminomethyl]-3-[(E)-hydroxyiminomethyl]benzene-1,2-diol

C8H8N2O4 — CID 135436317

IUPAC5-[(Z)-hydroxyiminomethyl]-3-[(E)-hydroxyiminomethyl]benzene-1,2-diol
SMILESO/N=C\c1cc(O)c(O)c(/C=N/O)c1
InChIInChI=1S/C8H8N2O4/c11-7-2-5(3-9-13)1-6(4-10-14)8(7)12/h1-4,11-14H/b9-3-,10-4+
InChIKeyRVXQVCZJDDAKEE-INWPEIIHSA-N
MW196.16 g/mol
LogP0.71
Rot. Bonds2

About 5-[(Z)-hydroxyiminomethyl]-3-[(E)-hydroxyiminomethyl]benzene-1,2-diol

5-[(Z)-hydroxyiminomethyl]-3-[(E)-hydroxyiminomethyl]benzene-1,2-diol (PubChem CID 135436317) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 5-[(Z)-hydroxyiminomethyl]-3-[(E)-hydroxyiminomethyl]benzene-1,2-diol.

Molecular Properties

Compound Name5-[(Z)-hydroxyiminomethyl]-3-[(E)-hydroxyiminomethyl]benzene-1,2-diol
PubChem CID135436317
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name5-[(Z)-hydroxyiminomethyl]-3-[(E)-hydroxyiminomethyl]benzene-1,2-diol
SMILESO/N=C\c1cc(O)c(O)c(/C=N/O)c1
InChIInChI=1S/C8H8N2O4/c11-7-2-5(3-9-13)1-6(4-10-14)8(7)12/h1-4,11-14H/b9-3-,10-4+
InChIKeyRVXQVCZJDDAKEE-INWPEIIHSA-N
XLogP0.71
TPSA105.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 50.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-hydroxyiminomethyl]-3-[(E)-hydroxyiminomethyl]benzene-1,2-diol?
The IUPAC name of 5-[(Z)-hydroxyiminomethyl]-3-[(E)-hydroxyiminomethyl]benzene-1,2-diol (CID 135436317) is 5-[(Z)-hydroxyiminomethyl]-3-[(E)-hydroxyiminomethyl]benzene-1,2-diol.
What is the SMILES notation for 5-[(Z)-hydroxyiminomethyl]-3-[(E)-hydroxyiminomethyl]benzene-1,2-diol?
The canonical SMILES for 5-[(Z)-hydroxyiminomethyl]-3-[(E)-hydroxyiminomethyl]benzene-1,2-diol is O/N=C\c1cc(O)c(O)c(/C=N/O)c1.
What is the InChIKey of 5-[(Z)-hydroxyiminomethyl]-3-[(E)-hydroxyiminomethyl]benzene-1,2-diol?
The InChIKey is RVXQVCZJDDAKEE-INWPEIIHSA-N. The full InChI is InChI=1S/C8H8N2O4/c11-7-2-5(3-9-13)1-6(4-10-14)8(7)12/h1-4,11-14H/b9-3-,10-4+.
What are the key properties of 5-[(Z)-hydroxyiminomethyl]-3-[(E)-hydroxyiminomethyl]benzene-1,2-diol?
5-[(Z)-hydroxyiminomethyl]-3-[(E)-hydroxyiminomethyl]benzene-1,2-diol has a molecular weight of 196.16 g/mol, XLogP of 0.71, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-hydroxyiminomethyl]-3-[(E)-hydroxyiminomethyl]benzene-1,2-diol is sourced from PubChem (CID 135436317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).