(4Z,6Z)-1,2-benzodiazonin-3-one

C11H8N2O — CID 140836179

IUPAC(4Z,6Z)-1,2-benzodiazonin-3-one
SMILESO=C1/C=C\C=C/c2ccccc2/N=N\1
InChIInChI=1S/C11H8N2O/c14-11-8-4-2-6-9-5-1-3-7-10(9)12-13-11/h1-8H/b6-2-,8-4-,13-12-
InChIKeyWXBHMTGZUFUBGD-NOIUFAIASA-N
MW184.20 g/mol
LogP2.88
Rot. Bonds

About (4Z,6Z)-1,2-benzodiazonin-3-one

(4Z,6Z)-1,2-benzodiazonin-3-one (PubChem CID 140836179) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is (4Z,6Z)-1,2-benzodiazonin-3-one.

Molecular Properties

Compound Name(4Z,6Z)-1,2-benzodiazonin-3-one
PubChem CID140836179
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name(4Z,6Z)-1,2-benzodiazonin-3-one
SMILESO=C1/C=C\C=C/c2ccccc2/N=N\1
InChIInChI=1S/C11H8N2O/c14-11-8-4-2-6-9-5-1-3-7-10(9)12-13-11/h1-8H/b6-2-,8-4-,13-12-
InChIKeyWXBHMTGZUFUBGD-NOIUFAIASA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-1,2-benzodiazonin-3-one?
The IUPAC name of (4Z,6Z)-1,2-benzodiazonin-3-one (CID 140836179) is (4Z,6Z)-1,2-benzodiazonin-3-one.
What is the SMILES notation for (4Z,6Z)-1,2-benzodiazonin-3-one?
The canonical SMILES for (4Z,6Z)-1,2-benzodiazonin-3-one is O=C1/C=C\C=C/c2ccccc2/N=N\1.
What is the InChIKey of (4Z,6Z)-1,2-benzodiazonin-3-one?
The InChIKey is WXBHMTGZUFUBGD-NOIUFAIASA-N. The full InChI is InChI=1S/C11H8N2O/c14-11-8-4-2-6-9-5-1-3-7-10(9)12-13-11/h1-8H/b6-2-,8-4-,13-12-.
What are the key properties of (4Z,6Z)-1,2-benzodiazonin-3-one?
(4Z,6Z)-1,2-benzodiazonin-3-one has a molecular weight of 184.20 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-1,2-benzodiazonin-3-one is sourced from PubChem (CID 140836179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).