3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propylpyrrolidine-2,4-dione

C15H19Cl2NO3 — CID 71654161

IUPAC3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propylpyrrolidine-2,4-dione
SMILESCCCN1CC(=O)C(C(=O)C2C(C=C(Cl)Cl)C2(C)C)C1=O
InChIInChI=1S/C15H19Cl2NO3/c1-4-5-18-7-9(19)11(14(18)21)13(20)12-8(6-10(16)17)15(12,2)3/h6,8,11-12H,4-5,7H2,1-3H3
InChIKeyULJPAYYSPLKGMC-UHFFFAOYSA-N
MW332.23 g/mol
LogP2.58
Rot. Bonds5

About 3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propylpyrrolidine-2,4-dione

3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propylpyrrolidine-2,4-dione (PubChem CID 71654161) has the molecular formula C15H19Cl2NO3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propylpyrrolidine-2,4-dione
PubChem CID71654161
Molecular FormulaC15H19Cl2NO3
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propylpyrrolidine-2,4-dione
SMILESCCCN1CC(=O)C(C(=O)C2C(C=C(Cl)Cl)C2(C)C)C1=O
InChIInChI=1S/C15H19Cl2NO3/c1-4-5-18-7-9(19)11(14(18)21)13(20)12-8(6-10(16)17)15(12,2)3/h6,8,11-12H,4-5,7H2,1-3H3
InChIKeyULJPAYYSPLKGMC-UHFFFAOYSA-N
XLogP2.58
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 52.58
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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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propylpyrrolidine-2,4-dione?
The IUPAC name of 3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propylpyrrolidine-2,4-dione (CID 71654161) is 3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propylpyrrolidine-2,4-dione.
What is the SMILES notation for 3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propylpyrrolidine-2,4-dione?
The canonical SMILES for 3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propylpyrrolidine-2,4-dione is CCCN1CC(=O)C(C(=O)C2C(C=C(Cl)Cl)C2(C)C)C1=O.
What is the InChIKey of 3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propylpyrrolidine-2,4-dione?
The InChIKey is ULJPAYYSPLKGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO3/c1-4-5-18-7-9(19)11(14(18)21)13(20)12-8(6-10(16)17)15(12,2)3/h6,8,11-12H,4-5,7H2,1-3H3.
What are the key properties of 3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propylpyrrolidine-2,4-dione?
3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propylpyrrolidine-2,4-dione has a molecular weight of 332.23 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propylpyrrolidine-2,4-dione is sourced from PubChem (CID 71654161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).