6-hydroxyiminocyclohexa-1,3-dien-1-ol

C6H7NO2 — CID 87408382

IUPAC6-hydroxyiminocyclohexa-1,3-dien-1-ol
SMILESON=C1CC=CC=C1O
InChIInChI=1S/C6H7NO2/c8-6-4-2-1-3-5(6)7-9/h1-2,4,8-9H,3H2
InChIKeyGPCMYFUSNVVOJU-UHFFFAOYSA-N
MW125.13 g/mol
LogP1.22
Rot. Bonds

About 6-hydroxyiminocyclohexa-1,3-dien-1-ol

6-hydroxyiminocyclohexa-1,3-dien-1-ol (PubChem CID 87408382) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 6-hydroxyiminocyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-hydroxyiminocyclohexa-1,3-dien-1-ol
PubChem CID87408382
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name6-hydroxyiminocyclohexa-1,3-dien-1-ol
SMILESON=C1CC=CC=C1O
InChIInChI=1S/C6H7NO2/c8-6-4-2-1-3-5(6)7-9/h1-2,4,8-9H,3H2
InChIKeyGPCMYFUSNVVOJU-UHFFFAOYSA-N
XLogP1.22
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 6-hydroxyiminocyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-hydroxyiminocyclohexa-1,3-dien-1-ol (CID 87408382) is 6-hydroxyiminocyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-hydroxyiminocyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-hydroxyiminocyclohexa-1,3-dien-1-ol is ON=C1CC=CC=C1O.
What is the InChIKey of 6-hydroxyiminocyclohexa-1,3-dien-1-ol?
The InChIKey is GPCMYFUSNVVOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c8-6-4-2-1-3-5(6)7-9/h1-2,4,8-9H,3H2.
What are the key properties of 6-hydroxyiminocyclohexa-1,3-dien-1-ol?
6-hydroxyiminocyclohexa-1,3-dien-1-ol has a molecular weight of 125.13 g/mol, XLogP of 1.22, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxyiminocyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 87408382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).