An official website of the United States government

CID 12650025

PubChem CID
12650025
Structure
CID 12650025_small.png
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
198.22 g/mol
Dates
  • Create:
    2007-02-08

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 12650025.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

3,4-dihydro-2H-benzo[f]quinoxalin-6-one

2.1.2 InChI

InChI=1S/C12H10N2O/c15-11-7-10-12(14-6-5-13-10)9-4-2-1-3-8(9)11/h1-4,7,13H,5-6H2

2.1.3 InChIKey

DPTZYLYTPATZSX-UHFFFAOYSA-N

2.1.4 SMILES

C1CN=C2C3=CC=CC=C3C(=O)C=C2N1

2.2 Molecular Formula

C12H10N2O

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
198.22 g/mol
Property Name
XLogP3-AA
Property Value
1.3
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
198.079312947 g/mol
Property Name
Monoisotopic Mass
Property Value
198.079312947 g/mol
Property Name
Topological Polar Surface Area
Property Value
41.5 A^2
Property Name
Heavy Atom Count
Property Value
15
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
357
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS