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

C16H21Cl2NO3 — CID 139214235

IUPAC1-butan-2-yl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione
SMILESCCC(C)N1CC(=O)C(C(=O)C2C(C=C(Cl)Cl)C2(C)C)C1=O
InChIInChI=1S/C16H21Cl2NO3/c1-5-8(2)19-7-10(20)12(15(19)22)14(21)13-9(6-11(17)18)16(13,3)4/h6,8-9,12-13H,5,7H2,1-4H3
InChIKeyAPSVLDXLULGULJ-UHFFFAOYSA-N
MW346.25 g/mol
LogP2.97
Rot. Bonds5

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

1-butan-2-yl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione (PubChem CID 139214235) has the molecular formula C16H21Cl2NO3 and a molecular weight of 346.25 g/mol. Its IUPAC name is 1-butan-2-yl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-butan-2-yl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione
PubChem CID139214235
Molecular FormulaC16H21Cl2NO3
Molecular Weight346.25 g/mol
Exact Mass345.09
IUPAC Name1-butan-2-yl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione
SMILESCCC(C)N1CC(=O)C(C(=O)C2C(C=C(Cl)Cl)C2(C)C)C1=O
InChIInChI=1S/C16H21Cl2NO3/c1-5-8(2)19-7-10(20)12(15(19)22)14(21)13-9(6-11(17)18)16(13,3)4/h6,8-9,12-13H,5,7H2,1-4H3
InChIKeyAPSVLDXLULGULJ-UHFFFAOYSA-N
XLogP2.97
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-butan-2-yl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarbonyl]-1-propylpyrrolidine-2,4-dione
CID 71654327
3-[3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione
CID 71654328
3-[3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarbonyl]-1-cyclopropylpyrrolidine-2,4-dione
CID 71654475
1-butyl-3-[3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione
CID 139214240
1-butan-2-yl-3-[3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione
CID 139214241
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-prop-2-enylpyrrolidine-2,4-dione
CID 71654323
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
3-[3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione
CID 71654325
1-Cyclopropyl-3-[3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione
CID 71654326

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione?
The IUPAC name of 1-butan-2-yl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione (CID 139214235) is 1-butan-2-yl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione.
What is the SMILES notation for 1-butan-2-yl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione?
The canonical SMILES for 1-butan-2-yl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione is CCC(C)N1CC(=O)C(C(=O)C2C(C=C(Cl)Cl)C2(C)C)C1=O.
What is the InChIKey of 1-butan-2-yl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione?
The InChIKey is APSVLDXLULGULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO3/c1-5-8(2)19-7-10(20)12(15(19)22)14(21)13-9(6-11(17)18)16(13,3)4/h6,8-9,12-13H,5,7H2,1-4H3.
What are the key properties of 1-butan-2-yl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione?
1-butan-2-yl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione has a molecular weight of 346.25 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]pyrrolidine-2,4-dione is sourced from PubChem (CID 139214235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).