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

C14H11NO3 — CID 10879280

IUPAC3-methoxy-2-methyl-9H-carbazole-1,4-dione
SMILESCOC1=C(C)C(=O)c2[nH]c3ccccc3c2C1=O
InChIInChI=1S/C14H11NO3/c1-7-12(16)11-10(13(17)14(7)18-2)8-5-3-4-6-9(8)15-11/h3-6,15H,1-2H3
InChIKeyCPWQXXPTIQPYTN-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.47
Rot. Bonds1

About 3-methoxy-2-methyl-9H-carbazole-1,4-dione

3-methoxy-2-methyl-9H-carbazole-1,4-dione (PubChem CID 10879280) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-methoxy-2-methyl-9H-carbazole-1,4-dione.

Molecular Properties

Compound Name3-methoxy-2-methyl-9H-carbazole-1,4-dione
PubChem CID10879280
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name3-methoxy-2-methyl-9H-carbazole-1,4-dione
SMILESCOC1=C(C)C(=O)c2[nH]c3ccccc3c2C1=O
InChIInChI=1S/C14H11NO3/c1-7-12(16)11-10(13(17)14(7)18-2)8-5-3-4-6-9(8)15-11/h3-6,15H,1-2H3
InChIKeyCPWQXXPTIQPYTN-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
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 3-methoxy-2-methyl-9H-carbazole-1,4-dione?
The IUPAC name of 3-methoxy-2-methyl-9H-carbazole-1,4-dione (CID 10879280) is 3-methoxy-2-methyl-9H-carbazole-1,4-dione.
What is the SMILES notation for 3-methoxy-2-methyl-9H-carbazole-1,4-dione?
The canonical SMILES for 3-methoxy-2-methyl-9H-carbazole-1,4-dione is COC1=C(C)C(=O)c2[nH]c3ccccc3c2C1=O.
What is the InChIKey of 3-methoxy-2-methyl-9H-carbazole-1,4-dione?
The InChIKey is CPWQXXPTIQPYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-7-12(16)11-10(13(17)14(7)18-2)8-5-3-4-6-9(8)15-11/h3-6,15H,1-2H3.
What are the key properties of 3-methoxy-2-methyl-9H-carbazole-1,4-dione?
3-methoxy-2-methyl-9H-carbazole-1,4-dione has a molecular weight of 241.25 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-9H-carbazole-1,4-dione is sourced from PubChem (CID 10879280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).