2,3-dimethyl-11H-benzo[a]carbazole-5,6-dione

C18H13NO2 — CID 11807923

IUPAC2,3-dimethyl-11H-benzo[a]carbazole-5,6-dione
SMILESCc1cc2c(cc1C)-c1[nH]c3ccccc3c1C(=O)C2=O
InChIInChI=1S/C18H13NO2/c1-9-7-12-13(8-10(9)2)17(20)18(21)15-11-5-3-4-6-14(11)19-16(12)15/h3-8,19H,1-2H3
InChIKeyGOPVHDCXHGANBU-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.83
Rot. Bonds

About 2,3-dimethyl-11H-benzo[a]carbazole-5,6-dione

2,3-dimethyl-11H-benzo[a]carbazole-5,6-dione (PubChem CID 11807923) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2,3-dimethyl-11H-benzo[a]carbazole-5,6-dione.

Molecular Properties

Compound Name2,3-dimethyl-11H-benzo[a]carbazole-5,6-dione
PubChem CID11807923
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name2,3-dimethyl-11H-benzo[a]carbazole-5,6-dione
SMILESCc1cc2c(cc1C)-c1[nH]c3ccccc3c1C(=O)C2=O
InChIInChI=1S/C18H13NO2/c1-9-7-12-13(8-10(9)2)17(20)18(21)15-11-5-3-4-6-14(11)19-16(12)15/h3-8,19H,1-2H3
InChIKeyGOPVHDCXHGANBU-UHFFFAOYSA-N
XLogP3.83
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethyl-9H-carbazole-3,4-dione
CID 15817402
5H-indeno[1,2-b]indol-10-one
CID 2785776
7H-benzo[c]carbazole-5,6-dione
CID 11207363
3-ethoxy-2-methyl-9H-carbazole-1,4-dione
CID 15458383
2-methyl-1-thiophen-2-yl-9H-carbazole-3,4-dione
CID 11779161
7-methoxy-5H-indeno[2,1-b]indol-6-one
CID 10444743
N-methylmethanamine;4-methyl-1H-quinolin-2-one
CID 143468896
ethane;4-methyl-1H-quinolin-2-one;molecular hydrogen
CID 142225291
9-methoxy-6-sulfanylidene-5H-indeno[1,2-c]quinolin-11-one
CID 52951043
2-phenyl-3-(2-phenyl-1H-indol-3-yl)-1H-benzo[f]indole-4,9-dione
CID 171393922
1,4-dimethylanthracene-9,10-dione;2,3-dimethylanthracene-9,10-dione
CID 158117057
3-amino-2-(2-methylphenyl)-1H-quinolin-4-one
CID 11630194

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-11H-benzo[a]carbazole-5,6-dione?
The IUPAC name of 2,3-dimethyl-11H-benzo[a]carbazole-5,6-dione (CID 11807923) is 2,3-dimethyl-11H-benzo[a]carbazole-5,6-dione.
What is the SMILES notation for 2,3-dimethyl-11H-benzo[a]carbazole-5,6-dione?
The canonical SMILES for 2,3-dimethyl-11H-benzo[a]carbazole-5,6-dione is Cc1cc2c(cc1C)-c1[nH]c3ccccc3c1C(=O)C2=O.
What is the InChIKey of 2,3-dimethyl-11H-benzo[a]carbazole-5,6-dione?
The InChIKey is GOPVHDCXHGANBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c1-9-7-12-13(8-10(9)2)17(20)18(21)15-11-5-3-4-6-14(11)19-16(12)15/h3-8,19H,1-2H3.
What are the key properties of 2,3-dimethyl-11H-benzo[a]carbazole-5,6-dione?
2,3-dimethyl-11H-benzo[a]carbazole-5,6-dione has a molecular weight of 275.31 g/mol, XLogP of 3.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-11H-benzo[a]carbazole-5,6-dione is sourced from PubChem (CID 11807923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).