1-hydroxy-4-nitrosoindole

C8H6N2O2 — CID 89274912

IUPAC1-hydroxy-4-nitrosoindole
SMILESO=Nc1cccc2c1ccn2O
InChIInChI=1S/C8H6N2O2/c11-9-7-2-1-3-8-6(7)4-5-10(8)12/h1-5,12H
InChIKeyIGVVXWLAMYYLKG-UHFFFAOYSA-N
MW162.15 g/mol
LogP2.28
Rot. Bonds1

About 1-hydroxy-4-nitrosoindole

1-hydroxy-4-nitrosoindole (PubChem CID 89274912) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 1-hydroxy-4-nitrosoindole.

Molecular Properties

Compound Name1-hydroxy-4-nitrosoindole
PubChem CID89274912
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name1-hydroxy-4-nitrosoindole
SMILESO=Nc1cccc2c1ccn2O
InChIInChI=1S/C8H6N2O2/c11-9-7-2-1-3-8-6(7)4-5-10(8)12/h1-5,12H
InChIKeyIGVVXWLAMYYLKG-UHFFFAOYSA-N
XLogP2.28
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 1-hydroxy-4-nitrosoindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-nitrosoindole?
The IUPAC name of 1-hydroxy-4-nitrosoindole (CID 89274912) is 1-hydroxy-4-nitrosoindole.
What is the SMILES notation for 1-hydroxy-4-nitrosoindole?
The canonical SMILES for 1-hydroxy-4-nitrosoindole is O=Nc1cccc2c1ccn2O.
What is the InChIKey of 1-hydroxy-4-nitrosoindole?
The InChIKey is IGVVXWLAMYYLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-9-7-2-1-3-8-6(7)4-5-10(8)12/h1-5,12H.
What are the key properties of 1-hydroxy-4-nitrosoindole?
1-hydroxy-4-nitrosoindole has a molecular weight of 162.15 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-nitrosoindole is sourced from PubChem (CID 89274912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).