(1Z,7E)-2,5-benzodiazonin-6-one

C11H8N2O — CID 131964302

IUPAC(1Z,7E)-2,5-benzodiazonin-6-one
SMILESO=C1/C=c2\cccc\c2=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-HBYHZMKUSA-N
MW184.20 g/mol
LogP-0.11
Rot. Bonds

About (1Z,7E)-2,5-benzodiazonin-6-one

(1Z,7E)-2,5-benzodiazonin-6-one (PubChem CID 131964302) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is (1Z,7E)-2,5-benzodiazonin-6-one.

Molecular Properties

Compound Name(1Z,7E)-2,5-benzodiazonin-6-one
PubChem CID131964302
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name(1Z,7E)-2,5-benzodiazonin-6-one
SMILESO=C1/C=c2\cccc\c2=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-HBYHZMKUSA-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

Analyze (1Z,7E)-2,5-benzodiazonin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z,7E)-2,5-benzodiazonin-6-one?
The IUPAC name of (1Z,7E)-2,5-benzodiazonin-6-one (CID 131964302) is (1Z,7E)-2,5-benzodiazonin-6-one.
What is the SMILES notation for (1Z,7E)-2,5-benzodiazonin-6-one?
The canonical SMILES for (1Z,7E)-2,5-benzodiazonin-6-one is O=C1/C=c2\cccc\c2=C\N=C\C=N/1.
What is the InChIKey of (1Z,7E)-2,5-benzodiazonin-6-one?
The InChIKey is PBPBVEAFHHWLBB-HBYHZMKUSA-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 (1Z,7E)-2,5-benzodiazonin-6-one?
(1Z,7E)-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 (1Z,7E)-2,5-benzodiazonin-6-one is sourced from PubChem (CID 131964302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).