N-benzo[cd]indol-2-ylhydroxylamine

C11H8N2O — CID 840643

IUPACN-benzo[cd]indol-2-ylhydroxylamine
SMILESONC1=Nc2cccc3cccc1c23
InChIInChI=1S/C11H8N2O/c14-13-11-8-5-1-3-7-4-2-6-9(12-11)10(7)8/h1-6,14H,(H,12,13)
InChIKeyVPMPLYWTVDKJSE-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.21
Rot. Bonds

About N-benzo[cd]indol-2-ylhydroxylamine

N-benzo[cd]indol-2-ylhydroxylamine (PubChem CID 840643) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is N-benzo[cd]indol-2-ylhydroxylamine.

Molecular Properties

Compound NameN-benzo[cd]indol-2-ylhydroxylamine
PubChem CID840643
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC NameN-benzo[cd]indol-2-ylhydroxylamine
SMILESONC1=Nc2cccc3cccc1c23
InChIInChI=1S/C11H8N2O/c14-13-11-8-5-1-3-7-4-2-6-9(12-11)10(7)8/h1-6,14H,(H,12,13)
InChIKeyVPMPLYWTVDKJSE-UHFFFAOYSA-N
XLogP2.21
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzo[cd]indol-2-ylhydroxylamine 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 N-benzo[cd]indol-2-ylhydroxylamine?
The IUPAC name of N-benzo[cd]indol-2-ylhydroxylamine (CID 840643) is N-benzo[cd]indol-2-ylhydroxylamine.
What is the SMILES notation for N-benzo[cd]indol-2-ylhydroxylamine?
The canonical SMILES for N-benzo[cd]indol-2-ylhydroxylamine is ONC1=Nc2cccc3cccc1c23.
What is the InChIKey of N-benzo[cd]indol-2-ylhydroxylamine?
The InChIKey is VPMPLYWTVDKJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c14-13-11-8-5-1-3-7-4-2-6-9(12-11)10(7)8/h1-6,14H,(H,12,13).
What are the key properties of N-benzo[cd]indol-2-ylhydroxylamine?
N-benzo[cd]indol-2-ylhydroxylamine has a molecular weight of 184.20 g/mol, XLogP of 2.21, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[cd]indol-2-ylhydroxylamine is sourced from PubChem (CID 840643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).