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

C13H9NO2 — CID 53244095

IUPAC6-methyl-9H-carbazole-1,4-dione
SMILESCc1ccc2[nH]c3c(c2c1)C(=O)C=CC3=O
InChIInChI=1S/C13H9NO2/c1-7-2-3-9-8(6-7)12-10(15)4-5-11(16)13(12)14-9/h2-6,14H,1H3
InChIKeySHHGRXCEECWHNQ-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.41
Rot. Bonds

About 6-methyl-9H-carbazole-1,4-dione

6-methyl-9H-carbazole-1,4-dione (PubChem CID 53244095) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 6-methyl-9H-carbazole-1,4-dione.

Molecular Properties

Compound Name6-methyl-9H-carbazole-1,4-dione
PubChem CID53244095
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name6-methyl-9H-carbazole-1,4-dione
SMILESCc1ccc2[nH]c3c(c2c1)C(=O)C=CC3=O
InChIInChI=1S/C13H9NO2/c1-7-2-3-9-8(6-7)12-10(15)4-5-11(16)13(12)14-9/h2-6,14H,1H3
InChIKeySHHGRXCEECWHNQ-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
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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Related Compounds

2,7-dimethyl-10H-acridin-9-one
CID 13293445
3,6-dimethyl-9H-carbazole
CID 144942624
1,2-dihydroxy-3,3,6-trimethyl-9H-carbazol-4-one
CID 136755937
2,8-dimethyl-5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione
CID 24764365
2-methyl-5,10-dihydroindolo[3,2-b]quinolin-11-one
CID 10681996
7-methyl-5,10-dihydroindolo[3,2-b]quinolin-11-one
CID 10776936
4-iodo-6-methyl-1H-quinolin-2-one
CID 156809530
3,9-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 59728395
2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one
CID 15577770
6-fluoro-3-methyl-9H-carbazole-1,4-dione
CID 14831887
3-(2,5-dimethyl-1H-indol-3-yl)-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
CID 22066099
8-methyl-5H-phenanthridin-6-one
CID 102200304

Frequently Asked Questions

What is the IUPAC name of 6-methyl-9H-carbazole-1,4-dione?
The IUPAC name of 6-methyl-9H-carbazole-1,4-dione (CID 53244095) is 6-methyl-9H-carbazole-1,4-dione.
What is the SMILES notation for 6-methyl-9H-carbazole-1,4-dione?
The canonical SMILES for 6-methyl-9H-carbazole-1,4-dione is Cc1ccc2[nH]c3c(c2c1)C(=O)C=CC3=O.
What is the InChIKey of 6-methyl-9H-carbazole-1,4-dione?
The InChIKey is SHHGRXCEECWHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c1-7-2-3-9-8(6-7)12-10(15)4-5-11(16)13(12)14-9/h2-6,14H,1H3.
What are the key properties of 6-methyl-9H-carbazole-1,4-dione?
6-methyl-9H-carbazole-1,4-dione has a molecular weight of 211.22 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9H-carbazole-1,4-dione is sourced from PubChem (CID 53244095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).