2,5-benzodiazonin-6-one

C11H8N2O — CID 131964301

IUPAC2,5-benzodiazonin-6-one
SMILESO=C1C=c2ccccc2=C/N=C\C=N/1
InChIInChI=1S/C11H8N2O/c14-11-7-9-3-1-2-4-10(9)8-12-5-6-13-11/h1-8H/b9-7?,10-8?,12-5-,13-6-
InChIKeyPBPBVEAFHHWLBB-OREAFLCASA-N
MW184.20 g/mol
LogP-0.11
Rot. Bonds

About 2,5-benzodiazonin-6-one

2,5-benzodiazonin-6-one (PubChem CID 131964301) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 2,5-benzodiazonin-6-one.

Molecular Properties

Compound Name2,5-benzodiazonin-6-one
PubChem CID131964301
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name2,5-benzodiazonin-6-one
SMILESO=C1C=c2ccccc2=C/N=C\C=N/1
InChIInChI=1S/C11H8N2O/c14-11-7-9-3-1-2-4-10(9)8-12-5-6-13-11/h1-8H/b9-7?,10-8?,12-5-,13-6-
InChIKeyPBPBVEAFHHWLBB-OREAFLCASA-N
XLogP-0.11
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-benzodiazonin-6-one?
The IUPAC name of 2,5-benzodiazonin-6-one (CID 131964301) is 2,5-benzodiazonin-6-one.
What is the SMILES notation for 2,5-benzodiazonin-6-one?
The canonical SMILES for 2,5-benzodiazonin-6-one is O=C1C=c2ccccc2=C/N=C\C=N/1.
What is the InChIKey of 2,5-benzodiazonin-6-one?
The InChIKey is PBPBVEAFHHWLBB-OREAFLCASA-N. The full InChI is InChI=1S/C11H8N2O/c14-11-7-9-3-1-2-4-10(9)8-12-5-6-13-11/h1-8H/b9-7?,10-8?,12-5-,13-6-.
What are the key properties of 2,5-benzodiazonin-6-one?
2,5-benzodiazonin-6-one has a molecular weight of 184.20 g/mol, XLogP of -0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-benzodiazonin-6-one is sourced from PubChem (CID 131964301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).