1-[2-[(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione

C18H24N2O2 — CID 125139197

IUPAC1-[2-[(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCc1ccc([C@H]2C[C@@H](C)N(CCN3C(=O)CCC3=O)C2)cc1
InChIInChI=1S/C18H24N2O2/c1-13-3-5-15(6-4-13)16-11-14(2)19(12-16)9-10-20-17(21)7-8-18(20)22/h3-6,14,16H,7-12H2,1-2H3/t14-,16+/m1/s1
InChIKeyFIEURRUQYJEZSK-ZBFHGGJFSA-N
MW300.40 g/mol
LogP2.32
Rot. Bonds4

About 1-[2-[(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione

1-[2-[(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 125139197) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[2-[(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID125139197
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-[2-[(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCc1ccc([C@H]2C[C@@H](C)N(CCN3C(=O)CCC3=O)C2)cc1
InChIInChI=1S/C18H24N2O2/c1-13-3-5-15(6-4-13)16-11-14(2)19(12-16)9-10-20-17(21)7-8-18(20)22/h3-6,14,16H,7-12H2,1-2H3/t14-,16+/m1/s1
InChIKeyFIEURRUQYJEZSK-ZBFHGGJFSA-N
XLogP2.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(2S,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 125139196
1-methyl-4-(4-methylphenyl)pyrrolidin-2-one
CID 71364641
5-[[(2S,4S)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)tetrazole
CID 125139359
4-(4-methylphenyl)-1-(2-phenylethyl)piperidine-2,6-dione
CID 46298395
2-(2-methyl-4-phenylpyrrolidin-1-yl)acetic acid
CID 119135565
[(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-pyridazin-4-ylmethanone
CID 125139492
3-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 56793687
3-(2-methyl-4-phenylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981772
2-[2-methyl-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrrolidin-1-yl]ethanol
CID 82626184
4-[[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methyl]piperidine
CID 119931942
1-methyl-5-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992089
2,4-dimethyl-1-[2-(4-methylphenoxy)ethyl]pyrrolidine
CID 142818530

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 125139197) is 1-[2-[(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione is Cc1ccc([C@H]2C[C@@H](C)N(CCN3C(=O)CCC3=O)C2)cc1.
What is the InChIKey of 1-[2-[(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is FIEURRUQYJEZSK-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-3-5-15(6-4-13)16-11-14(2)19(12-16)9-10-20-17(21)7-8-18(20)22/h3-6,14,16H,7-12H2,1-2H3/t14-,16+/m1/s1.
What are the key properties of 1-[2-[(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione?
1-[2-[(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 300.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R,4R)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 125139197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).