1-cyclobutyl-3-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione

C17H21NO2 — CID 176647599

IUPAC1-cyclobutyl-3-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione
SMILESCC(C)c1ccc(C2CC(=O)N(C3CCC3)C2=O)cc1
InChIInChI=1S/C17H21NO2/c1-11(2)12-6-8-13(9-7-12)15-10-16(19)18(17(15)20)14-4-3-5-14/h6-9,11,14-15H,3-5,10H2,1-2H3
InChIKeyYIXDMQMXVIVEGE-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.20
Rot. Bonds3

About 1-cyclobutyl-3-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione

1-cyclobutyl-3-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione (PubChem CID 176647599) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-cyclobutyl-3-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclobutyl-3-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione
PubChem CID176647599
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-cyclobutyl-3-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione
SMILESCC(C)c1ccc(C2CC(=O)N(C3CCC3)C2=O)cc1
InChIInChI=1S/C17H21NO2/c1-11(2)12-6-8-13(9-7-12)15-10-16(19)18(17(15)20)14-4-3-5-14/h6-9,11,14-15H,3-5,10H2,1-2H3
InChIKeyYIXDMQMXVIVEGE-UHFFFAOYSA-N
XLogP3.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.20
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

(3S)-3-(3-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione
CID 101349866
1-(4-aminocyclohexyl)-3-phenylpyrrolidine-2,5-dione
CID 61209256
3-(4-propan-2-ylphenyl)cyclopentan-1-one
CID 64519954
(3S)-3-phenyl-1-(4-propan-2-ylanilino)pyrrolidine-2,5-dione
CID 6922479
1-cyclopropyl-3-(propan-2-ylamino)pyrrolidine-2,5-dione
CID 43636083
(3S)-3-phenyl-1-[[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]pyrrolidine-2,5-dione
CID 9279605
2-(2,5-dioxo-3-phenylpyrrolidin-1-yl)cyclopentane-1-carbothioamide
CID 62955894
1-cyclopropyl-3-[1-(4-methylphenyl)ethylamino]pyrrolidine-2,5-dione
CID 60934095
1-cyclopentyl-3-(1-pyridin-3-ylethylamino)pyrrolidine-2,5-dione
CID 43637589
1-[(1R,2R)-2-aminocyclohexyl]-3-phenylpyrrolidine-2,5-dione
CID 102738905
(3R)-3-(4-propan-2-ylphenyl)oxane-2,6-dione
CID 98599522
2-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 20856766

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclobutyl-3-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione (CID 176647599) is 1-cyclobutyl-3-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclobutyl-3-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclobutyl-3-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione is CC(C)c1ccc(C2CC(=O)N(C3CCC3)C2=O)cc1.
What is the InChIKey of 1-cyclobutyl-3-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione?
The InChIKey is YIXDMQMXVIVEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11(2)12-6-8-13(9-7-12)15-10-16(19)18(17(15)20)14-4-3-5-14/h6-9,11,14-15H,3-5,10H2,1-2H3.
What are the key properties of 1-cyclobutyl-3-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione?
1-cyclobutyl-3-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione has a molecular weight of 271.36 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 176647599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).