9-nitrosocarbazole

C12H8N2O — CID 17743

IUPAC9-nitrosocarbazole
SMILESO=Nn1c2ccccc2c2ccccc21
InChIInChI=1S/C12H8N2O/c15-13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H
InChIKeyXPKSVCWBMBPUPE-UHFFFAOYSA-N
MW196.21 g/mol
LogP3.32
Rot. Bonds1

About 9-nitrosocarbazole

9-nitrosocarbazole (PubChem CID 17743) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is 9-nitrosocarbazole.

Molecular Properties

Compound Name9-nitrosocarbazole
PubChem CID17743
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Name9-nitrosocarbazole
SMILESO=Nn1c2ccccc2c2ccccc21
InChIInChI=1S/C12H8N2O/c15-13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H
InChIKeyXPKSVCWBMBPUPE-UHFFFAOYSA-N
XLogP3.32
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-nitrosocarbazole?
The IUPAC name of 9-nitrosocarbazole (CID 17743) is 9-nitrosocarbazole.
What is the SMILES notation for 9-nitrosocarbazole?
The canonical SMILES for 9-nitrosocarbazole is O=Nn1c2ccccc2c2ccccc21.
What is the InChIKey of 9-nitrosocarbazole?
The InChIKey is XPKSVCWBMBPUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c15-13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H.
What are the key properties of 9-nitrosocarbazole?
9-nitrosocarbazole has a molecular weight of 196.21 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-nitrosocarbazole is sourced from PubChem (CID 17743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).