1,2-benzodiazonin-7-one

C11H8N2O — CID 67428589

IUPAC1,2-benzodiazonin-7-one
SMILESO=C1C=CC=C/N=N\c2ccccc21
InChIInChI=1S/C11H8N2O/c14-11-7-3-4-8-12-13-10-6-2-1-5-9(10)11/h1-8H/b7-3?,8-4?,13-12-
InChIKeyYDCVVJRBQTZZNM-HMDZDXEWSA-N
MW184.20 g/mol
LogP3.04
Rot. Bonds

About 1,2-benzodiazonin-7-one

1,2-benzodiazonin-7-one (PubChem CID 67428589) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 1,2-benzodiazonin-7-one.

Molecular Properties

Compound Name1,2-benzodiazonin-7-one
PubChem CID67428589
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name1,2-benzodiazonin-7-one
SMILESO=C1C=CC=C/N=N\c2ccccc21
InChIInChI=1S/C11H8N2O/c14-11-7-3-4-8-12-13-10-6-2-1-5-9(10)11/h1-8H/b7-3?,8-4?,13-12-
InChIKeyYDCVVJRBQTZZNM-HMDZDXEWSA-N
XLogP3.04
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-benzodiazonin-7-one?
The IUPAC name of 1,2-benzodiazonin-7-one (CID 67428589) is 1,2-benzodiazonin-7-one.
What is the SMILES notation for 1,2-benzodiazonin-7-one?
The canonical SMILES for 1,2-benzodiazonin-7-one is O=C1C=CC=C/N=N\c2ccccc21.
What is the InChIKey of 1,2-benzodiazonin-7-one?
The InChIKey is YDCVVJRBQTZZNM-HMDZDXEWSA-N. The full InChI is InChI=1S/C11H8N2O/c14-11-7-3-4-8-12-13-10-6-2-1-5-9(10)11/h1-8H/b7-3?,8-4?,13-12-.
What are the key properties of 1,2-benzodiazonin-7-one?
1,2-benzodiazonin-7-one has a molecular weight of 184.20 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-benzodiazonin-7-one is sourced from PubChem (CID 67428589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).