1-[(2-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione

C13H14ClNO2 — CID 117060733

IUPAC1-[(2-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(Cc2ccccc2Cl)C1=O
InChIInChI=1S/C13H14ClNO2/c1-13(2)7-11(16)15(12(13)17)8-9-5-3-4-6-10(9)14/h3-6H,7-8H2,1-2H3
InChIKeyFPRWNYSXUSBFBS-UHFFFAOYSA-N
MW251.71 g/mol
LogP2.63
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione

1-[(2-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 117060733) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID117060733
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name1-[(2-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(Cc2ccccc2Cl)C1=O
InChIInChI=1S/C13H14ClNO2/c1-13(2)7-11(16)15(12(13)17)8-9-5-3-4-6-10(9)14/h3-6H,7-8H2,1-2H3
InChIKeyFPRWNYSXUSBFBS-UHFFFAOYSA-N
XLogP2.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[(2-amino-4-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65301903
1-[(3-amino-2-fluorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 107347713
(5R)-2-[(2-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decane-1,3-dione
CID 97449189
1-[[4-(2-aminoethyl)phenyl]methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65297333
3-[(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-2-fluorobenzenecarbothioamide
CID 107115896
(5R)-3-[(2-chlorophenyl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2580419
5-(2-chlorophenyl)-3-[(2-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 3689298
2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one
CID 134119722
1-[(2-chlorophenyl)methyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115946288
2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;ethanol
CID 175057356
3-[(2-chlorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 2726677
3,3-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione
CID 65298014

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione (CID 117060733) is 1-[(2-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione is CC1(C)CC(=O)N(Cc2ccccc2Cl)C1=O.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is FPRWNYSXUSBFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-13(2)7-11(16)15(12(13)17)8-9-5-3-4-6-10(9)14/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione?
1-[(2-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 251.71 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 117060733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).