2,5-dimethylbenzo[f]indazole-4,9-dione

C13H10N2O2 — CID 13380794

IUPAC2,5-dimethylbenzo[f]indazole-4,9-dione
SMILESCc1cccc2c1C(=O)c1cn(C)nc1C2=O
InChIInChI=1S/C13H10N2O2/c1-7-4-3-5-8-10(7)12(16)9-6-15(2)14-11(9)13(8)17/h3-6H,1-2H3
InChIKeyJMRAVEGZXKVVPT-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.50
Rot. Bonds

About 2,5-dimethylbenzo[f]indazole-4,9-dione

2,5-dimethylbenzo[f]indazole-4,9-dione (PubChem CID 13380794) has the molecular formula C13H10N2O2 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2,5-dimethylbenzo[f]indazole-4,9-dione.

Molecular Properties

Compound Name2,5-dimethylbenzo[f]indazole-4,9-dione
PubChem CID13380794
Molecular FormulaC13H10N2O2
Molecular Weight226.23 g/mol
Exact Mass226.07
IUPAC Name2,5-dimethylbenzo[f]indazole-4,9-dione
SMILESCc1cccc2c1C(=O)c1cn(C)nc1C2=O
InChIInChI=1S/C13H10N2O2/c1-7-4-3-5-8-10(7)12(16)9-6-15(2)14-11(9)13(8)17/h3-6H,1-2H3
InChIKeyJMRAVEGZXKVVPT-UHFFFAOYSA-N
XLogP1.50
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.50
H-Bond Donors ≤ 50
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 2,5-dimethylbenzo[f]indazole-4,9-dione?
The IUPAC name of 2,5-dimethylbenzo[f]indazole-4,9-dione (CID 13380794) is 2,5-dimethylbenzo[f]indazole-4,9-dione.
What is the SMILES notation for 2,5-dimethylbenzo[f]indazole-4,9-dione?
The canonical SMILES for 2,5-dimethylbenzo[f]indazole-4,9-dione is Cc1cccc2c1C(=O)c1cn(C)nc1C2=O.
What is the InChIKey of 2,5-dimethylbenzo[f]indazole-4,9-dione?
The InChIKey is JMRAVEGZXKVVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-7-4-3-5-8-10(7)12(16)9-6-15(2)14-11(9)13(8)17/h3-6H,1-2H3.
What are the key properties of 2,5-dimethylbenzo[f]indazole-4,9-dione?
2,5-dimethylbenzo[f]indazole-4,9-dione has a molecular weight of 226.23 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylbenzo[f]indazole-4,9-dione is sourced from PubChem (CID 13380794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).