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

C15H13NO3 — CID 11043317

IUPAC6-methoxy-2,3-dimethyl-9H-carbazole-1,4-dione
SMILESCOc1ccc2[nH]c3c(c2c1)C(=O)C(C)=C(C)C3=O
InChIInChI=1S/C15H13NO3/c1-7-8(2)15(18)13-12(14(7)17)10-6-9(19-3)4-5-11(10)16-13/h4-6,16H,1-3H3
InChIKeyIYZSFJHCRVUVHJ-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.89
Rot. Bonds1

About 6-methoxy-2,3-dimethyl-9H-carbazole-1,4-dione

6-methoxy-2,3-dimethyl-9H-carbazole-1,4-dione (PubChem CID 11043317) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 6-methoxy-2,3-dimethyl-9H-carbazole-1,4-dione.

Molecular Properties

Compound Name6-methoxy-2,3-dimethyl-9H-carbazole-1,4-dione
PubChem CID11043317
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name6-methoxy-2,3-dimethyl-9H-carbazole-1,4-dione
SMILESCOc1ccc2[nH]c3c(c2c1)C(=O)C(C)=C(C)C3=O
InChIInChI=1S/C15H13NO3/c1-7-8(2)15(18)13-12(14(7)17)10-6-9(19-3)4-5-11(10)16-13/h4-6,16H,1-3H3
InChIKeyIYZSFJHCRVUVHJ-UHFFFAOYSA-N
XLogP2.89
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.89
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 6-methoxy-2,3-dimethyl-9H-carbazole-1,4-dione?
The IUPAC name of 6-methoxy-2,3-dimethyl-9H-carbazole-1,4-dione (CID 11043317) is 6-methoxy-2,3-dimethyl-9H-carbazole-1,4-dione.
What is the SMILES notation for 6-methoxy-2,3-dimethyl-9H-carbazole-1,4-dione?
The canonical SMILES for 6-methoxy-2,3-dimethyl-9H-carbazole-1,4-dione is COc1ccc2[nH]c3c(c2c1)C(=O)C(C)=C(C)C3=O.
What is the InChIKey of 6-methoxy-2,3-dimethyl-9H-carbazole-1,4-dione?
The InChIKey is IYZSFJHCRVUVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-7-8(2)15(18)13-12(14(7)17)10-6-9(19-3)4-5-11(10)16-13/h4-6,16H,1-3H3.
What are the key properties of 6-methoxy-2,3-dimethyl-9H-carbazole-1,4-dione?
6-methoxy-2,3-dimethyl-9H-carbazole-1,4-dione has a molecular weight of 255.27 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,3-dimethyl-9H-carbazole-1,4-dione is sourced from PubChem (CID 11043317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).