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

C11H7Cl2NO2 — CID 12719826

IUPAC1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1NC(=O)C2(c3ccc(Cl)c(Cl)c3)CC12
InChIInChI=1S/C11H7Cl2NO2/c12-7-2-1-5(3-8(7)13)11-4-6(11)9(15)14-10(11)16/h1-3,6H,4H2,(H,14,15,16)
InChIKeyKYZQLSQZVCUOTC-UHFFFAOYSA-N
MW256.09 g/mol
LogP1.91
Rot. Bonds1

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

1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 12719826) has the molecular formula C11H7Cl2NO2 and a molecular weight of 256.09 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID12719826
Molecular FormulaC11H7Cl2NO2
Molecular Weight256.09 g/mol
Exact Mass254.99
IUPAC Name1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1NC(=O)C2(c3ccc(Cl)c(Cl)c3)CC12
InChIInChI=1S/C11H7Cl2NO2/c12-7-2-1-5(3-8(7)13)11-4-6(11)9(15)14-10(11)16/h1-3,6H,4H2,(H,14,15,16)
InChIKeyKYZQLSQZVCUOTC-UHFFFAOYSA-N
XLogP1.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 51.91
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

4-(3,4-Dichlorophenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile (2)
CID 331439
Cyproximide
CID 12719804
3-(3-Chlorophenyl)-5-hydroxy-3,4-dihydro-2H-pyrrol-2-one
CID 3057806
2-(4-Chlorophenyl)succinimide
CID 4606738
3-[(3,4-Dichlorophenyl)methyl]piperidine-2,6-dione
CID 14531160
3-(4-Chlorophenyl)-3-methyl-2,5-pyrrolidinedione
CID 43155364
Ciproximida
CID 27361
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 12719824
7a-(4-chloro-2-fluorophenyl)-4,5-dihydro-3aH-isoindole-1,3-dione
CID 67853717
1-(p-Chloro-alpha,alpha,alpha-trifluoro-m-tolyl)cyclopropanedicarboximide
CID 86736235
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

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 12719826) is 1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione is O=C1NC(=O)C2(c3ccc(Cl)c(Cl)c3)CC12.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is KYZQLSQZVCUOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO2/c12-7-2-1-5(3-8(7)13)11-4-6(11)9(15)14-10(11)16/h1-3,6H,4H2,(H,14,15,16).
What are the key properties of 1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 256.09 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 12719826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).