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

C15H17Cl2NO3 — CID 71654322

IUPAC1-cyclopropyl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione
SMILESCC1(C)C(C=C(Cl)Cl)C1C(=O)C1C(=O)CN(C2CC2)C1=O
InChIInChI=1S/C15H17Cl2NO3/c1-15(2)8(5-10(16)17)12(15)13(20)11-9(19)6-18(14(11)21)7-3-4-7/h5,7-8,11-12H,3-4,6H2,1-2H3
InChIKeyNVBKRUREFNGCQN-UHFFFAOYSA-N
MW330.21 g/mol
LogP2.34
Rot. Bonds4

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

1-cyclopropyl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione (PubChem CID 71654322) has the molecular formula C15H17Cl2NO3 and a molecular weight of 330.21 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione
PubChem CID71654322
Molecular FormulaC15H17Cl2NO3
Molecular Weight330.21 g/mol
Exact Mass329.06
IUPAC Name1-cyclopropyl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione
SMILESCC1(C)C(C=C(Cl)Cl)C1C(=O)C1C(=O)CN(C2CC2)C1=O
InChIInChI=1S/C15H17Cl2NO3/c1-15(2)8(5-10(16)17)12(15)13(20)11-9(19)6-18(14(11)21)7-3-4-7/h5,7-8,11-12H,3-4,6H2,1-2H3
InChIKeyNVBKRUREFNGCQN-UHFFFAOYSA-N
XLogP2.34
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 52.34
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 1-cyclopropyl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione?
The IUPAC name of 1-cyclopropyl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione (CID 71654322) is 1-cyclopropyl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione.
What is the SMILES notation for 1-cyclopropyl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione?
The canonical SMILES for 1-cyclopropyl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione is CC1(C)C(C=C(Cl)Cl)C1C(=O)C1C(=O)CN(C2CC2)C1=O.
What is the InChIKey of 1-cyclopropyl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione?
The InChIKey is NVBKRUREFNGCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO3/c1-15(2)8(5-10(16)17)12(15)13(20)11-9(19)6-18(14(11)21)7-3-4-7/h5,7-8,11-12H,3-4,6H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione?
1-cyclopropyl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione has a molecular weight of 330.21 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione is sourced from PubChem (CID 71654322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).