1,2-dimethyl-9H-carbazole-3,4-dione

C14H11NO2 — CID 15817402

IUPAC1,2-dimethyl-9H-carbazole-3,4-dione
SMILESCC1=C(C)c2[nH]c3ccccc3c2C(=O)C1=O
InChIInChI=1S/C14H11NO2/c1-7-8(2)13(16)14(17)11-9-5-3-4-6-10(9)15-12(7)11/h3-6,15H,1-2H3
InChIKeyQWATYNLMVZIBQL-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.73
Rot. Bonds

About 1,2-dimethyl-9H-carbazole-3,4-dione

1,2-dimethyl-9H-carbazole-3,4-dione (PubChem CID 15817402) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1,2-dimethyl-9H-carbazole-3,4-dione.

Molecular Properties

Compound Name1,2-dimethyl-9H-carbazole-3,4-dione
PubChem CID15817402
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name1,2-dimethyl-9H-carbazole-3,4-dione
SMILESCC1=C(C)c2[nH]c3ccccc3c2C(=O)C1=O
InChIInChI=1S/C14H11NO2/c1-7-8(2)13(16)14(17)11-9-5-3-4-6-10(9)15-12(7)11/h3-6,15H,1-2H3
InChIKeyQWATYNLMVZIBQL-UHFFFAOYSA-N
XLogP2.73
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.73
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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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-9H-carbazole-3,4-dione?
The IUPAC name of 1,2-dimethyl-9H-carbazole-3,4-dione (CID 15817402) is 1,2-dimethyl-9H-carbazole-3,4-dione.
What is the SMILES notation for 1,2-dimethyl-9H-carbazole-3,4-dione?
The canonical SMILES for 1,2-dimethyl-9H-carbazole-3,4-dione is CC1=C(C)c2[nH]c3ccccc3c2C(=O)C1=O.
What is the InChIKey of 1,2-dimethyl-9H-carbazole-3,4-dione?
The InChIKey is QWATYNLMVZIBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-7-8(2)13(16)14(17)11-9-5-3-4-6-10(9)15-12(7)11/h3-6,15H,1-2H3.
What are the key properties of 1,2-dimethyl-9H-carbazole-3,4-dione?
1,2-dimethyl-9H-carbazole-3,4-dione has a molecular weight of 225.25 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-9H-carbazole-3,4-dione is sourced from PubChem (CID 15817402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).