2-methoxy-5H-benzo[b]carbazole-6,11-dione

C17H11NO3 — CID 10923849

IUPAC2-methoxy-5H-benzo[b]carbazole-6,11-dione
SMILESCOc1ccc2[nH]c3c(c2c1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C17H11NO3/c1-21-9-6-7-13-12(8-9)14-15(18-13)17(20)11-5-3-2-4-10(11)16(14)19/h2-8,18H,1H3
InChIKeyHYEUJWFTWDERQI-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.95
Rot. Bonds1

About 2-methoxy-5H-benzo[b]carbazole-6,11-dione

2-methoxy-5H-benzo[b]carbazole-6,11-dione (PubChem CID 10923849) has the molecular formula C17H11NO3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-methoxy-5H-benzo[b]carbazole-6,11-dione.

Molecular Properties

Compound Name2-methoxy-5H-benzo[b]carbazole-6,11-dione
PubChem CID10923849
Molecular FormulaC17H11NO3
Molecular Weight277.28 g/mol
Exact Mass277.07
IUPAC Name2-methoxy-5H-benzo[b]carbazole-6,11-dione
SMILESCOc1ccc2[nH]c3c(c2c1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C17H11NO3/c1-21-9-6-7-13-12(8-9)14-15(18-13)17(20)11-5-3-2-4-10(11)16(14)19/h2-8,18H,1H3
InChIKeyHYEUJWFTWDERQI-UHFFFAOYSA-N
XLogP2.95
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.95
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 2-methoxy-5H-benzo[b]carbazole-6,11-dione?
The IUPAC name of 2-methoxy-5H-benzo[b]carbazole-6,11-dione (CID 10923849) is 2-methoxy-5H-benzo[b]carbazole-6,11-dione.
What is the SMILES notation for 2-methoxy-5H-benzo[b]carbazole-6,11-dione?
The canonical SMILES for 2-methoxy-5H-benzo[b]carbazole-6,11-dione is COc1ccc2[nH]c3c(c2c1)C(=O)c1ccccc1C3=O.
What is the InChIKey of 2-methoxy-5H-benzo[b]carbazole-6,11-dione?
The InChIKey is HYEUJWFTWDERQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO3/c1-21-9-6-7-13-12(8-9)14-15(18-13)17(20)11-5-3-2-4-10(11)16(14)19/h2-8,18H,1H3.
What are the key properties of 2-methoxy-5H-benzo[b]carbazole-6,11-dione?
2-methoxy-5H-benzo[b]carbazole-6,11-dione has a molecular weight of 277.28 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5H-benzo[b]carbazole-6,11-dione is sourced from PubChem (CID 10923849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).