2-methyl-9H-carbazole-1,4-dione

C13H9NO2 — CID 14831900

IUPAC2-methyl-9H-carbazole-1,4-dione
SMILESCC1=CC(=O)c2c([nH]c3ccccc23)C1=O
InChIInChI=1S/C13H9NO2/c1-7-6-10(15)11-8-4-2-3-5-9(8)14-12(11)13(7)16/h2-6,14H,1H3
InChIKeyRUWXEFBHSZLJDZ-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.49
Rot. Bonds

About 2-methyl-9H-carbazole-1,4-dione

2-methyl-9H-carbazole-1,4-dione (PubChem CID 14831900) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-methyl-9H-carbazole-1,4-dione.

Molecular Properties

Compound Name2-methyl-9H-carbazole-1,4-dione
PubChem CID14831900
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name2-methyl-9H-carbazole-1,4-dione
SMILESCC1=CC(=O)c2c([nH]c3ccccc23)C1=O
InChIInChI=1S/C13H9NO2/c1-7-6-10(15)11-8-4-2-3-5-9(8)14-12(11)13(7)16/h2-6,14H,1H3
InChIKeyRUWXEFBHSZLJDZ-UHFFFAOYSA-N
XLogP2.49
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-9H-carbazole-1,4-dione?
The IUPAC name of 2-methyl-9H-carbazole-1,4-dione (CID 14831900) is 2-methyl-9H-carbazole-1,4-dione.
What is the SMILES notation for 2-methyl-9H-carbazole-1,4-dione?
The canonical SMILES for 2-methyl-9H-carbazole-1,4-dione is CC1=CC(=O)c2c([nH]c3ccccc23)C1=O.
What is the InChIKey of 2-methyl-9H-carbazole-1,4-dione?
The InChIKey is RUWXEFBHSZLJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c1-7-6-10(15)11-8-4-2-3-5-9(8)14-12(11)13(7)16/h2-6,14H,1H3.
What are the key properties of 2-methyl-9H-carbazole-1,4-dione?
2-methyl-9H-carbazole-1,4-dione has a molecular weight of 211.22 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9H-carbazole-1,4-dione is sourced from PubChem (CID 14831900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).