9-methyl-2,3-dihydro-1H-carbazol-4-one

C13H13NO — CID 598875

IUPAC9-methyl-2,3-dihydro-1H-carbazol-4-one
SMILESCn1c2c(c3ccccc31)C(=O)CCC2
InChIInChI=1S/C13H13NO/c1-14-10-6-3-2-5-9(10)13-11(14)7-4-8-12(13)15/h2-3,5-6H,4,7-8H2,1H3
InChIKeyHHJUJCWZKJMCLC-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.70
Rot. Bonds

About 9-methyl-2,3-dihydro-1H-carbazol-4-one

9-methyl-2,3-dihydro-1H-carbazol-4-one (PubChem CID 598875) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 9-methyl-2,3-dihydro-1H-carbazol-4-one.

Molecular Properties

Compound Name9-methyl-2,3-dihydro-1H-carbazol-4-one
PubChem CID598875
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name9-methyl-2,3-dihydro-1H-carbazol-4-one
SMILESCn1c2c(c3ccccc31)C(=O)CCC2
InChIInChI=1S/C13H13NO/c1-14-10-6-3-2-5-9(10)13-11(14)7-4-8-12(13)15/h2-3,5-6H,4,7-8H2,1H3
InChIKeyHHJUJCWZKJMCLC-UHFFFAOYSA-N
XLogP2.70
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-methyl-2,3-dihydro-1H-carbazol-4-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 9-methyl-2,3-dihydro-1H-carbazol-4-one?
The IUPAC name of 9-methyl-2,3-dihydro-1H-carbazol-4-one (CID 598875) is 9-methyl-2,3-dihydro-1H-carbazol-4-one.
What is the SMILES notation for 9-methyl-2,3-dihydro-1H-carbazol-4-one?
The canonical SMILES for 9-methyl-2,3-dihydro-1H-carbazol-4-one is Cn1c2c(c3ccccc31)C(=O)CCC2.
What is the InChIKey of 9-methyl-2,3-dihydro-1H-carbazol-4-one?
The InChIKey is HHJUJCWZKJMCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-14-10-6-3-2-5-9(10)13-11(14)7-4-8-12(13)15/h2-3,5-6H,4,7-8H2,1H3.
What are the key properties of 9-methyl-2,3-dihydro-1H-carbazol-4-one?
9-methyl-2,3-dihydro-1H-carbazol-4-one has a molecular weight of 199.25 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2,3-dihydro-1H-carbazol-4-one is sourced from PubChem (CID 598875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).