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

C14H11NO3 — CID 14831906

IUPAC8-methoxy-2-methyl-9H-carbazole-1,4-dione
SMILESCOc1cccc2c3c([nH]c12)C(=O)C(C)=CC3=O
InChIInChI=1S/C14H11NO3/c1-7-6-9(16)11-8-4-3-5-10(18-2)12(8)15-13(11)14(7)17/h3-6,15H,1-2H3
InChIKeyAAYCCZGYVBTJFN-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.50
Rot. Bonds1

About 8-methoxy-2-methyl-9H-carbazole-1,4-dione

8-methoxy-2-methyl-9H-carbazole-1,4-dione (PubChem CID 14831906) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 8-methoxy-2-methyl-9H-carbazole-1,4-dione.

Molecular Properties

Compound Name8-methoxy-2-methyl-9H-carbazole-1,4-dione
PubChem CID14831906
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name8-methoxy-2-methyl-9H-carbazole-1,4-dione
SMILESCOc1cccc2c3c([nH]c12)C(=O)C(C)=CC3=O
InChIInChI=1S/C14H11NO3/c1-7-6-9(16)11-8-4-3-5-10(18-2)12(8)15-13(11)14(7)17/h3-6,15H,1-2H3
InChIKeyAAYCCZGYVBTJFN-UHFFFAOYSA-N
XLogP2.50
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 8-methoxy-2-methyl-9H-carbazole-1,4-dione?
The IUPAC name of 8-methoxy-2-methyl-9H-carbazole-1,4-dione (CID 14831906) is 8-methoxy-2-methyl-9H-carbazole-1,4-dione.
What is the SMILES notation for 8-methoxy-2-methyl-9H-carbazole-1,4-dione?
The canonical SMILES for 8-methoxy-2-methyl-9H-carbazole-1,4-dione is COc1cccc2c3c([nH]c12)C(=O)C(C)=CC3=O.
What is the InChIKey of 8-methoxy-2-methyl-9H-carbazole-1,4-dione?
The InChIKey is AAYCCZGYVBTJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-7-6-9(16)11-8-4-3-5-10(18-2)12(8)15-13(11)14(7)17/h3-6,15H,1-2H3.
What are the key properties of 8-methoxy-2-methyl-9H-carbazole-1,4-dione?
8-methoxy-2-methyl-9H-carbazole-1,4-dione has a molecular weight of 241.25 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-methyl-9H-carbazole-1,4-dione is sourced from PubChem (CID 14831906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).