2-methyl-3-(methylamino)carbazol-1-one

C14H12N2O — CID 141139937

IUPAC2-methyl-3-(methylamino)carbazol-1-one
SMILESCNC1=C(C)C(=O)C2=Nc3ccccc3C2=C1
InChIInChI=1S/C14H12N2O/c1-8-12(15-2)7-10-9-5-3-4-6-11(9)16-13(10)14(8)17/h3-7,15H,1-2H3
InChIKeyFTLUWJLDFQJYOF-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.23
Rot. Bonds1

About 2-methyl-3-(methylamino)carbazol-1-one

2-methyl-3-(methylamino)carbazol-1-one (PubChem CID 141139937) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)carbazol-1-one.

Molecular Properties

Compound Name2-methyl-3-(methylamino)carbazol-1-one
PubChem CID141139937
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-methyl-3-(methylamino)carbazol-1-one
SMILESCNC1=C(C)C(=O)C2=Nc3ccccc3C2=C1
InChIInChI=1S/C14H12N2O/c1-8-12(15-2)7-10-9-5-3-4-6-11(9)16-13(10)14(8)17/h3-7,15H,1-2H3
InChIKeyFTLUWJLDFQJYOF-UHFFFAOYSA-N
XLogP2.23
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}

Analyze 2-methyl-3-(methylamino)carbazol-1-one 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 2-methyl-3-(methylamino)carbazol-1-one?
The IUPAC name of 2-methyl-3-(methylamino)carbazol-1-one (CID 141139937) is 2-methyl-3-(methylamino)carbazol-1-one.
What is the SMILES notation for 2-methyl-3-(methylamino)carbazol-1-one?
The canonical SMILES for 2-methyl-3-(methylamino)carbazol-1-one is CNC1=C(C)C(=O)C2=Nc3ccccc3C2=C1.
What is the InChIKey of 2-methyl-3-(methylamino)carbazol-1-one?
The InChIKey is FTLUWJLDFQJYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-8-12(15-2)7-10-9-5-3-4-6-11(9)16-13(10)14(8)17/h3-7,15H,1-2H3.
What are the key properties of 2-methyl-3-(methylamino)carbazol-1-one?
2-methyl-3-(methylamino)carbazol-1-one has a molecular weight of 224.26 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)carbazol-1-one is sourced from PubChem (CID 141139937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).