3-[3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione

C15H19Br2NO3 — CID 71654325

IUPAC3-[3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione
SMILESCC(C)N1CC(=O)C(C(=O)C2C(C=C(Br)Br)C2(C)C)C1=O
InChIInChI=1S/C15H19Br2NO3/c1-7(2)18-6-9(19)11(14(18)21)13(20)12-8(5-10(16)17)15(12,3)4/h5,7-8,11-12H,6H2,1-4H3
InChIKeyGHDWNCLOXIAWBU-UHFFFAOYSA-N
MW421.13 g/mol
LogP2.89
Rot. Bonds4

About 3-[3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione

3-[3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione (PubChem CID 71654325) has the molecular formula C15H19Br2NO3 and a molecular weight of 421.13 g/mol. Its IUPAC name is 3-[3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione
PubChem CID71654325
Molecular FormulaC15H19Br2NO3
Molecular Weight421.13 g/mol
Exact Mass418.97
IUPAC Name3-[3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione
SMILESCC(C)N1CC(=O)C(C(=O)C2C(C=C(Br)Br)C2(C)C)C1=O
InChIInChI=1S/C15H19Br2NO3/c1-7(2)18-6-9(19)11(14(18)21)13(20)12-8(5-10(16)17)15(12,3)4/h5,7-8,11-12H,6H2,1-4H3
InChIKeyGHDWNCLOXIAWBU-UHFFFAOYSA-N
XLogP2.89
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.13
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione
CID 71654321
3-[3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propylpyrrolidine-2,4-dione
CID 71654161
1-Cyclopropyl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione
CID 71654322
3-[3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propylpyrrolidine-2,4-dione
CID 71654324
1-Cyclopropyl-3-[3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione
CID 71654326
1-Butyl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione
CID 139214234
1-Butan-2-yl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione
CID 139214235
3-[3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-prop-2-enylpyrrolidine-2,4-dione
CID 139214236
1-Butyl-3-[3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione
CID 139214237
1-Butan-2-yl-3-[3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione
CID 139214238
3-[2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione
CID 139214242

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione?
The IUPAC name of 3-[3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione (CID 71654325) is 3-[3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione.
What is the SMILES notation for 3-[3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione?
The canonical SMILES for 3-[3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione is CC(C)N1CC(=O)C(C(=O)C2C(C=C(Br)Br)C2(C)C)C1=O.
What is the InChIKey of 3-[3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione?
The InChIKey is GHDWNCLOXIAWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2NO3/c1-7(2)18-6-9(19)11(14(18)21)13(20)12-8(5-10(16)17)15(12,3)4/h5,7-8,11-12H,6H2,1-4H3.
What are the key properties of 3-[3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione?
3-[3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione has a molecular weight of 421.13 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione is sourced from PubChem (CID 71654325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).