1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione

C14H17NO2 — CID 59687464

IUPAC1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione
SMILESCC1C(=O)N(C)C(=O)C1C(C)c1ccccc1
InChIInChI=1S/C14H17NO2/c1-9(11-7-5-4-6-8-11)12-10(2)13(16)15(3)14(12)17/h4-10,12H,1-3H3
InChIKeyTVCQIBLLSWIVCZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.04
Rot. Bonds2

About 1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione

1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione (PubChem CID 59687464) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione
PubChem CID59687464
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione
SMILESCC1C(=O)N(C)C(=O)C1C(C)c1ccccc1
InChIInChI=1S/C14H17NO2/c1-9(11-7-5-4-6-8-11)12-10(2)13(16)15(3)14(12)17/h4-10,12H,1-3H3
InChIKeyTVCQIBLLSWIVCZ-UHFFFAOYSA-N
XLogP2.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.04
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

(3R)-1-methyl-3-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione
CID 98079235
trans-(3R,5R)-3,5-dimethyl-2-(1-phenylethyl)cyclohexan-1-one
CID 14468495
1-butyl-3-(1,3-diphenylbutyl)-4-methylpyrrolidine-2,5-dione
CID 118410529
1-methyl-4-[(1S)-1-phenylethyl]imidazolidin-2-one
CID 24752970
1,3-dimethyl-4-phenyl-3,4-dihydroquinolin-2-one
CID 20689381
5-methyl-2-(1-phenylethyl)-1,3-dioxepane-4,7-dione
CID 67881948
(3S,4R)-3-methyl-1-[(1R)-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one
CID 162539166
3-methyl-4-(1-phenylethyl)piperidine-2,6-dione
CID 79317878
3,4,4-trimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 70991873
1-[3-(dimethylamino)propyl]-3-(1-phenylethyl)-4-(2,3,3-trimethylbutan-2-yl)pyrrolidine-2,5-dione
CID 144715394
5-(1-phenylethyl)-1,3-thiazolidine-2,4-dione
CID 101057113
(3S,4R)-1-benzhydryl-3-methyl-4-phenylazetidin-2-one
CID 13045168

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione?
The IUPAC name of 1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione (CID 59687464) is 1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione is CC1C(=O)N(C)C(=O)C1C(C)c1ccccc1.
What is the InChIKey of 1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione?
The InChIKey is TVCQIBLLSWIVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9(11-7-5-4-6-8-11)12-10(2)13(16)15(3)14(12)17/h4-10,12H,1-3H3.
What are the key properties of 1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione?
1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione has a molecular weight of 231.30 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(1-phenylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 59687464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).