(3R)-3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione

C13H15NO2 — CID 1331361

IUPAC(3R)-3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione
SMILESCC[C@]1(C)CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C13H15NO2/c1-3-13(2)9-11(15)14(12(13)16)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3/t13-/m1/s1
InChIKeySGHKSYFGHLNVHE-CYBMUJFWSA-N
MW217.27 g/mol
LogP2.37
Rot. Bonds2

About (3R)-3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione

(3R)-3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione (PubChem CID 1331361) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (3R)-3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione
PubChem CID1331361
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(3R)-3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione
SMILESCC[C@]1(C)CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C13H15NO2/c1-3-13(2)9-11(15)14(12(13)16)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3/t13-/m1/s1
InChIKeySGHKSYFGHLNVHE-CYBMUJFWSA-N
XLogP2.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.37
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

3,3-diethyl-1-phenylpiperidine-2,6-dione
CID 3028428
1-[3-(dibenzylamino)propyl]-3-ethyl-3-methylpyrrolidine-2,5-dione;hydrochloride
CID 67935745
2-[4-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)phenyl]acetic acid
CID 43437490
1-(3-hydroxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 60886395
1,5-diphenyl-1,5-diazocane-2,4,6,8-tetrone
CID 155228922
1-(4-bromoanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione
CID 44585372
3-ethyl-4-hydroxy-3,5,5-trimethyl-1-phenylpiperazin-2-one
CID 70644597
4-ethyl-4-hydroxy-2-phenylisoquinoline-1,3-dione
CID 15370514
3'-phenylspiro[1,3-dihydroindene-2,5'-imidazolidine]-2',4'-dione
CID 146087793
3-ethyl-3-methyl-1-(pyrrolidin-1-ylmethyl)pyrrolidine-2,5-dione
CID 45095533
methanamine;2-phenylisoindole-1,3-dione;propane
CID 171823860
CID 59919906
CID 59919906

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione (CID 1331361) is (3R)-3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione is CC[C@]1(C)CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of (3R)-3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione?
The InChIKey is SGHKSYFGHLNVHE-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-13(2)9-11(15)14(12(13)16)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione?
(3R)-3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione has a molecular weight of 217.27 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 1331361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).