1-nitroso-2,3-dihydroindole

C8H8N2O — CID 24274

IUPAC1-nitroso-2,3-dihydroindole
SMILESO=NN1CCc2ccccc21
InChIInChI=1S/C8H8N2O/c11-9-10-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2
InChIKeyQVXPAHMYCSEIMA-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.73
Rot. Bonds1

About 1-nitroso-2,3-dihydroindole

1-nitroso-2,3-dihydroindole (PubChem CID 24274) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 1-nitroso-2,3-dihydroindole.

Molecular Properties

Compound Name1-nitroso-2,3-dihydroindole
PubChem CID24274
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name1-nitroso-2,3-dihydroindole
SMILESO=NN1CCc2ccccc21
InChIInChI=1S/C8H8N2O/c11-9-10-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2
InChIKeyQVXPAHMYCSEIMA-UHFFFAOYSA-N
XLogP1.73
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-nitroso-2,3-dihydroindole 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-nitroso-2,3-dihydroindole?
The IUPAC name of 1-nitroso-2,3-dihydroindole (CID 24274) is 1-nitroso-2,3-dihydroindole.
What is the SMILES notation for 1-nitroso-2,3-dihydroindole?
The canonical SMILES for 1-nitroso-2,3-dihydroindole is O=NN1CCc2ccccc21.
What is the InChIKey of 1-nitroso-2,3-dihydroindole?
The InChIKey is QVXPAHMYCSEIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c11-9-10-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2.
What are the key properties of 1-nitroso-2,3-dihydroindole?
1-nitroso-2,3-dihydroindole has a molecular weight of 148.16 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitroso-2,3-dihydroindole is sourced from PubChem (CID 24274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).