(6E)-1,4-benzodiazonin-3-one

C11H8N2O — CID 67868082

IUPAC(6E)-1,4-benzodiazonin-3-one
SMILESO=C1/C=N/c2ccccc2/C=C/C=N\1
InChIInChI=1S/C11H8N2O/c14-11-8-13-10-6-2-1-4-9(10)5-3-7-12-11/h1-8H/b5-3+,12-7-,13-8+
InChIKeyWUQSGDSBVFPSHO-ZDDGDYGUSA-N
MW184.20 g/mol
LogP2.01
Rot. Bonds

About (6E)-1,4-benzodiazonin-3-one

(6E)-1,4-benzodiazonin-3-one (PubChem CID 67868082) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is (6E)-1,4-benzodiazonin-3-one.

Molecular Properties

Compound Name(6E)-1,4-benzodiazonin-3-one
PubChem CID67868082
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name(6E)-1,4-benzodiazonin-3-one
SMILESO=C1/C=N/c2ccccc2/C=C/C=N\1
InChIInChI=1S/C11H8N2O/c14-11-8-13-10-6-2-1-4-9(10)5-3-7-12-11/h1-8H/b5-3+,12-7-,13-8+
InChIKeyWUQSGDSBVFPSHO-ZDDGDYGUSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6E)-1,4-benzodiazonin-3-one?
The IUPAC name of (6E)-1,4-benzodiazonin-3-one (CID 67868082) is (6E)-1,4-benzodiazonin-3-one.
What is the SMILES notation for (6E)-1,4-benzodiazonin-3-one?
The canonical SMILES for (6E)-1,4-benzodiazonin-3-one is O=C1/C=N/c2ccccc2/C=C/C=N\1.
What is the InChIKey of (6E)-1,4-benzodiazonin-3-one?
The InChIKey is WUQSGDSBVFPSHO-ZDDGDYGUSA-N. The full InChI is InChI=1S/C11H8N2O/c14-11-8-13-10-6-2-1-4-9(10)5-3-7-12-11/h1-8H/b5-3+,12-7-,13-8+.
What are the key properties of (6E)-1,4-benzodiazonin-3-one?
(6E)-1,4-benzodiazonin-3-one has a molecular weight of 184.20 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-1,4-benzodiazonin-3-one is sourced from PubChem (CID 67868082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).