3-(5-tert-butyl-2-methoxyphenyl)pyrrolidine-2,5-dione

C15H19NO3 — CID 82121676

IUPAC3-(5-tert-butyl-2-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(C(C)(C)C)cc1C1CC(=O)NC1=O
InChIInChI=1S/C15H19NO3/c1-15(2,3)9-5-6-12(19-4)10(7-9)11-8-13(17)16-14(11)18/h5-7,11H,8H2,1-4H3,(H,16,17,18)
InChIKeyWRUPGQGKWDFGPY-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.12
Rot. Bonds2

About 3-(5-tert-butyl-2-methoxyphenyl)pyrrolidine-2,5-dione

3-(5-tert-butyl-2-methoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 82121676) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(5-tert-butyl-2-methoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(5-tert-butyl-2-methoxyphenyl)pyrrolidine-2,5-dione
PubChem CID82121676
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-(5-tert-butyl-2-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(C(C)(C)C)cc1C1CC(=O)NC1=O
InChIInChI=1S/C15H19NO3/c1-15(2,3)9-5-6-12(19-4)10(7-9)11-8-13(17)16-14(11)18/h5-7,11H,8H2,1-4H3,(H,16,17,18)
InChIKeyWRUPGQGKWDFGPY-UHFFFAOYSA-N
XLogP2.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-fluoro-2-methoxyphenyl)pyrrolidine-2,5-dione
CID 82114724
4-(2,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 3610231
7-(4-tert-butylphenyl)-4-(2,4,5-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17063236
4-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-2-methoxybenzamide
CID 156551077
(4S)-6,7-dimethoxy-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 1045745
methyl 2-(2,5-dioxopyrrolidin-3-yl)-2-(3-ethoxy-4-methoxyphenyl)propanoate
CID 22924021
6-tert-butyl-4-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one
CID 84627501
3-(6-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 86240712
4-(5-tert-butyl-2-methoxyphenyl)azepane
CID 82302415
(7S)-7-(5-bromo-2-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42556194
3-(6-tert-butyl-2-methoxy-3-pyridinyl)piperidine-2,6-dione
CID 170132586
4-(2,5-dimethoxyphenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79310292

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-2-methoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(5-tert-butyl-2-methoxyphenyl)pyrrolidine-2,5-dione (CID 82121676) is 3-(5-tert-butyl-2-methoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(5-tert-butyl-2-methoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(5-tert-butyl-2-methoxyphenyl)pyrrolidine-2,5-dione is COc1ccc(C(C)(C)C)cc1C1CC(=O)NC1=O.
What is the InChIKey of 3-(5-tert-butyl-2-methoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is WRUPGQGKWDFGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-15(2,3)9-5-6-12(19-4)10(7-9)11-8-13(17)16-14(11)18/h5-7,11H,8H2,1-4H3,(H,16,17,18).
What are the key properties of 3-(5-tert-butyl-2-methoxyphenyl)pyrrolidine-2,5-dione?
3-(5-tert-butyl-2-methoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 261.32 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-2-methoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 82121676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).