3-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione

C17H25NO3 — CID 139214242

IUPAC3-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione
SMILESCC(C)=CC1C(C(=O)C2C(=O)CN(C(C)C)C2=O)C1(C)C
InChIInChI=1S/C17H25NO3/c1-9(2)7-11-14(17(11,5)6)15(20)13-12(19)8-18(10(3)4)16(13)21/h7,10-11,13-14H,8H2,1-6H3
InChIKeyWKGOHWLBCVCKIB-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.23
Rot. Bonds4

About 3-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione

3-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione (PubChem CID 139214242) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name3-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione
PubChem CID139214242
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name3-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione
SMILESCC(C)=CC1C(C(=O)C2C(=O)CN(C(C)C)C2=O)C1(C)C
InChIInChI=1S/C17H25NO3/c1-9(2)7-11-14(17(11,5)6)15(20)13-12(19)8-18(10(3)4)16(13)21/h7,10-11,13-14H,8H2,1-6H3
InChIKeyWKGOHWLBCVCKIB-UHFFFAOYSA-N
XLogP2.23
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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
3-[3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarbonyl]-1-prop-2-enylpyrrolidine-2,4-dione
CID 139214239
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-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
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

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione?
The IUPAC name of 3-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione (CID 139214242) is 3-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione.
What is the SMILES notation for 3-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione?
The canonical SMILES for 3-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione is CC(C)=CC1C(C(=O)C2C(=O)CN(C(C)C)C2=O)C1(C)C.
What is the InChIKey of 3-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione?
The InChIKey is WKGOHWLBCVCKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-9(2)7-11-14(17(11,5)6)15(20)13-12(19)8-18(10(3)4)16(13)21/h7,10-11,13-14H,8H2,1-6H3.
What are the key properties of 3-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione?
3-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione has a molecular weight of 291.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-1-propan-2-ylpyrrolidine-2,4-dione is sourced from PubChem (CID 139214242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).