6,7-dimethoxy-3-methyl-9H-carbazole-1,4-dione

C15H13NO4 — CID 11184822

IUPAC6,7-dimethoxy-3-methyl-9H-carbazole-1,4-dione
SMILESCOc1cc2[nH]c3c(c2cc1OC)C(=O)C(C)=CC3=O
InChIInChI=1S/C15H13NO4/c1-7-4-10(17)14-13(15(7)18)8-5-11(19-2)12(20-3)6-9(8)16-14/h4-6,16H,1-3H3
InChIKeyNIRRSVHUEHTZSM-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.51
Rot. Bonds2

About 6,7-dimethoxy-3-methyl-9H-carbazole-1,4-dione

6,7-dimethoxy-3-methyl-9H-carbazole-1,4-dione (PubChem CID 11184822) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 6,7-dimethoxy-3-methyl-9H-carbazole-1,4-dione.

Molecular Properties

Compound Name6,7-dimethoxy-3-methyl-9H-carbazole-1,4-dione
PubChem CID11184822
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name6,7-dimethoxy-3-methyl-9H-carbazole-1,4-dione
SMILESCOc1cc2[nH]c3c(c2cc1OC)C(=O)C(C)=CC3=O
InChIInChI=1S/C15H13NO4/c1-7-4-10(17)14-13(15(7)18)8-5-11(19-2)12(20-3)6-9(8)16-14/h4-6,16H,1-3H3
InChIKeyNIRRSVHUEHTZSM-UHFFFAOYSA-N
XLogP2.51
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6,7-dimethoxy-3-methyl-9H-carbazole-1,4-dione?
The IUPAC name of 6,7-dimethoxy-3-methyl-9H-carbazole-1,4-dione (CID 11184822) is 6,7-dimethoxy-3-methyl-9H-carbazole-1,4-dione.
What is the SMILES notation for 6,7-dimethoxy-3-methyl-9H-carbazole-1,4-dione?
The canonical SMILES for 6,7-dimethoxy-3-methyl-9H-carbazole-1,4-dione is COc1cc2[nH]c3c(c2cc1OC)C(=O)C(C)=CC3=O.
What is the InChIKey of 6,7-dimethoxy-3-methyl-9H-carbazole-1,4-dione?
The InChIKey is NIRRSVHUEHTZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-7-4-10(17)14-13(15(7)18)8-5-11(19-2)12(20-3)6-9(8)16-14/h4-6,16H,1-3H3.
What are the key properties of 6,7-dimethoxy-3-methyl-9H-carbazole-1,4-dione?
6,7-dimethoxy-3-methyl-9H-carbazole-1,4-dione has a molecular weight of 271.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-methyl-9H-carbazole-1,4-dione is sourced from PubChem (CID 11184822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).