6-chloro-3-methyl-9H-carbazole-1,4-dione

C13H8ClNO2 — CID 14831886

IUPAC6-chloro-3-methyl-9H-carbazole-1,4-dione
SMILESCC1=CC(=O)c2[nH]c3ccc(Cl)cc3c2C1=O
InChIInChI=1S/C13H8ClNO2/c1-6-4-10(16)12-11(13(6)17)8-5-7(14)2-3-9(8)15-12/h2-5,15H,1H3
InChIKeyXWICIWOCQCSHPU-UHFFFAOYSA-N
MW245.66 g/mol
LogP3.15
Rot. Bonds

About 6-chloro-3-methyl-9H-carbazole-1,4-dione

6-chloro-3-methyl-9H-carbazole-1,4-dione (PubChem CID 14831886) has the molecular formula C13H8ClNO2 and a molecular weight of 245.66 g/mol. Its IUPAC name is 6-chloro-3-methyl-9H-carbazole-1,4-dione.

Molecular Properties

Compound Name6-chloro-3-methyl-9H-carbazole-1,4-dione
PubChem CID14831886
Molecular FormulaC13H8ClNO2
Molecular Weight245.66 g/mol
Exact Mass245.02
IUPAC Name6-chloro-3-methyl-9H-carbazole-1,4-dione
SMILESCC1=CC(=O)c2[nH]c3ccc(Cl)cc3c2C1=O
InChIInChI=1S/C13H8ClNO2/c1-6-4-10(16)12-11(13(6)17)8-5-7(14)2-3-9(8)15-12/h2-5,15H,1H3
InChIKeyXWICIWOCQCSHPU-UHFFFAOYSA-N
XLogP3.15
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 53.15
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 6-chloro-3-methyl-9H-carbazole-1,4-dione?
The IUPAC name of 6-chloro-3-methyl-9H-carbazole-1,4-dione (CID 14831886) is 6-chloro-3-methyl-9H-carbazole-1,4-dione.
What is the SMILES notation for 6-chloro-3-methyl-9H-carbazole-1,4-dione?
The canonical SMILES for 6-chloro-3-methyl-9H-carbazole-1,4-dione is CC1=CC(=O)c2[nH]c3ccc(Cl)cc3c2C1=O.
What is the InChIKey of 6-chloro-3-methyl-9H-carbazole-1,4-dione?
The InChIKey is XWICIWOCQCSHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO2/c1-6-4-10(16)12-11(13(6)17)8-5-7(14)2-3-9(8)15-12/h2-5,15H,1H3.
What are the key properties of 6-chloro-3-methyl-9H-carbazole-1,4-dione?
6-chloro-3-methyl-9H-carbazole-1,4-dione has a molecular weight of 245.66 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-9H-carbazole-1,4-dione is sourced from PubChem (CID 14831886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).