6-(2,3-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

C13H11Cl2NO2 — CID 19090836

IUPAC6-(2,3-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCC12C(=O)NC(=O)C1(C)C2c1cccc(Cl)c1Cl
InChIInChI=1S/C13H11Cl2NO2/c1-12-9(6-4-3-5-7(14)8(6)15)13(12,2)11(18)16-10(12)17/h3-5,9H,1-2H3,(H,16,17,18)
InChIKeyGDMTYMNHBYISOA-UHFFFAOYSA-N
MW284.14 g/mol
LogP2.76
Rot. Bonds1

About 6-(2,3-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

6-(2,3-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 19090836) has the molecular formula C13H11Cl2NO2 and a molecular weight of 284.14 g/mol. Its IUPAC name is 6-(2,3-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name6-(2,3-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID19090836
Molecular FormulaC13H11Cl2NO2
Molecular Weight284.14 g/mol
Exact Mass283.02
IUPAC Name6-(2,3-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCC12C(=O)NC(=O)C1(C)C2c1cccc(Cl)c1Cl
InChIInChI=1S/C13H11Cl2NO2/c1-12-9(6-4-3-5-7(14)8(6)15)13(12,2)11(18)16-10(12)17/h3-5,9H,1-2H3,(H,16,17,18)
InChIKeyGDMTYMNHBYISOA-UHFFFAOYSA-N
XLogP2.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Cyproximide
CID 12719804
3-[(3,4-Dichlorophenyl)methyl]piperidine-2,6-dione
CID 14531160
1-(3,4-Dichlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 12719826
Ciproximida
CID 27361
1-(2-Chloro-4-fluorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 146238477
(1S,5R)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 164674723
(1R,5S)-6-(2-chloro-6-fluorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
CID 8606910
6-(2-Chlorophenyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
CID 16763476
1-(3-Chlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 12719807
1-(2-Chlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 12719809
3-(3,4-Dichlorophenyl)pyrrolidine-2,5-dione
CID 12863013
1-(3-Chlorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 12891343

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 6-(2,3-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 19090836) is 6-(2,3-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 6-(2,3-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 6-(2,3-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is CC12C(=O)NC(=O)C1(C)C2c1cccc(Cl)c1Cl.
What is the InChIKey of 6-(2,3-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is GDMTYMNHBYISOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2/c1-12-9(6-4-3-5-7(14)8(6)15)13(12,2)11(18)16-10(12)17/h3-5,9H,1-2H3,(H,16,17,18).
What are the key properties of 6-(2,3-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
6-(2,3-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 284.14 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 19090836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).