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

C11H8N2O — CID 131964300

IUPAC(1Z,7Z)-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-ALTKOIDNSA-N
MW184.20 g/mol
LogP-0.11
Rot. Bonds

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

(1Z,7Z)-2,5-benzodiazonin-6-one (PubChem CID 131964300) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is (1Z,7Z)-2,5-benzodiazonin-6-one.

Molecular Properties

Compound Name(1Z,7Z)-2,5-benzodiazonin-6-one
PubChem CID131964300
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name(1Z,7Z)-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-ALTKOIDNSA-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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Related Compounds

3-Benzazepin-2-one
CID 19092219
Azolo[3,4-b]pyridinone
CID 69989685
Pyrrolo[2,3-c]pyridinone
CID 70123457
2H-3-benzazepine-2-on-hydrochloride
CID 129717137
Pyrrolo[3,4-f]quinolin-7-one
CID 89189092
4H-2-benzazepine-5-carboxamide
CID 91250758
Pyrrolo[2,3-c]pyridin-5-one
CID 118169701
2,5-Benzodiazonin-6-one
CID 131964301
(1Z,7E)-2,5-benzodiazonin-6-one
CID 131964302
1-Methyl-3-benzazepin-2-one
CID 142141229
(1Z,12Z)-3,5,8,11-tetrazabicyclo[11.4.0]heptadeca-1,3,5,7,10,12,14,16-octaen-9-one
CID 142798100
Pyrido[4,3-c]azepin-3-one
CID 146240562

Frequently Asked Questions

What is the IUPAC name of (1Z,7Z)-2,5-benzodiazonin-6-one?
The IUPAC name of (1Z,7Z)-2,5-benzodiazonin-6-one (CID 131964300) is (1Z,7Z)-2,5-benzodiazonin-6-one.
What is the SMILES notation for (1Z,7Z)-2,5-benzodiazonin-6-one?
The canonical SMILES for (1Z,7Z)-2,5-benzodiazonin-6-one is O=C1/C=c2/cccc/c2=C/N=C\C=N/1.
What is the InChIKey of (1Z,7Z)-2,5-benzodiazonin-6-one?
The InChIKey is PBPBVEAFHHWLBB-ALTKOIDNSA-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,7Z)-2,5-benzodiazonin-6-one?
(1Z,7Z)-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,7Z)-2,5-benzodiazonin-6-one is sourced from PubChem (CID 131964300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).