5-methyl-3-nitroso-1H-indol-2-ol

C9H8N2O2 — CID 583072

IUPAC5-methyl-3-nitroso-1H-indol-2-ol
SMILESCc1ccc2[nH]c(O)c(N=O)c2c1
InChIInChI=1S/C9H8N2O2/c1-5-2-3-7-6(4-5)8(11-13)9(12)10-7/h2-4,10,12H,1H3
InChIKeyKVSDYOWXCHPWQI-UHFFFAOYSA-N
MW176.17 g/mol
LogP2.58
Rot. Bonds1

About 5-methyl-3-nitroso-1H-indol-2-ol

5-methyl-3-nitroso-1H-indol-2-ol (PubChem CID 583072) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 5-methyl-3-nitroso-1H-indol-2-ol.

Molecular Properties

Compound Name5-methyl-3-nitroso-1H-indol-2-ol
PubChem CID583072
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name5-methyl-3-nitroso-1H-indol-2-ol
SMILESCc1ccc2[nH]c(O)c(N=O)c2c1
InChIInChI=1S/C9H8N2O2/c1-5-2-3-7-6(4-5)8(11-13)9(12)10-7/h2-4,10,12H,1H3
InChIKeyKVSDYOWXCHPWQI-UHFFFAOYSA-N
XLogP2.58
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-methyl-3-nitroso-1H-indol-2-ol 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 5-methyl-3-nitroso-1H-indol-2-ol?
The IUPAC name of 5-methyl-3-nitroso-1H-indol-2-ol (CID 583072) is 5-methyl-3-nitroso-1H-indol-2-ol.
What is the SMILES notation for 5-methyl-3-nitroso-1H-indol-2-ol?
The canonical SMILES for 5-methyl-3-nitroso-1H-indol-2-ol is Cc1ccc2[nH]c(O)c(N=O)c2c1.
What is the InChIKey of 5-methyl-3-nitroso-1H-indol-2-ol?
The InChIKey is KVSDYOWXCHPWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-5-2-3-7-6(4-5)8(11-13)9(12)10-7/h2-4,10,12H,1H3.
What are the key properties of 5-methyl-3-nitroso-1H-indol-2-ol?
5-methyl-3-nitroso-1H-indol-2-ol has a molecular weight of 176.17 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-nitroso-1H-indol-2-ol is sourced from PubChem (CID 583072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).