1-tert-butylpyrrole;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione

C16H26N2O3 — CID 160926267

IUPAC1-tert-butylpyrrole;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione
SMILESCC(C)(C)ON1C(=O)CCC1=O.CC(C)(C)n1cccc1
InChIInChI=1S/C8H13NO3.C8H13N/c1-8(2,3)12-9-6(10)4-5-7(9)11;1-8(2,3)9-6-4-5-7-9/h4-5H2,1-3H3;4-7H,1-3H3
InChIKeySSRHPGMCAUTOHQ-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.11
Rot. Bonds1

About 1-tert-butylpyrrole;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione

1-tert-butylpyrrole;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione (PubChem CID 160926267) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-tert-butylpyrrole;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-tert-butylpyrrole;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione
PubChem CID160926267
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-tert-butylpyrrole;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione
SMILESCC(C)(C)ON1C(=O)CCC1=O.CC(C)(C)n1cccc1
InChIInChI=1S/C8H13NO3.C8H13N/c1-8(2,3)12-9-6(10)4-5-7(9)11;1-8(2,3)9-6-4-5-7-9/h4-5H2,1-3H3;4-7H,1-3H3
InChIKeySSRHPGMCAUTOHQ-UHFFFAOYSA-N
XLogP3.11
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione;1,2,4,5-tetrafluoro-3-methyl-6-[(2-methylpropan-2-yl)oxy]benzene
CID 160774064
1-[2-(tert-butylamino)ethyl]pyrrole-2,5-dione;bis(2,2-dimethylpropane);2-methylpropan-2-ol;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione
CID 158564297
1-[(2-methylpropan-2-yl)oxy]piperidine-2,4-dione
CID 171489042
ditert-butyl 3,6-dioxodiazinane-1,2-dicarboxylate
CID 101100447
1-[2-(2,5-dioxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2,5-dione
CID 58388473
3-methyl-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione;1-[(2-methylpropan-2-yl)oxy]benzotriazole;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione;3-[(2-methylpropan-2-yl)oxy]triazolo[4,5-b]pyridine;1,2,3,4,5-pentafluoro-6-[(2-methylpropan-2-yl)oxy]benzene
CID 161053173
1-[(2,5-dioxopyrrolidin-1-yl)oxymethyl]pyrrole-2,5-dione
CID 126595986
tert-butyl 2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetate
CID 162050928
(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 15817683
1-methoxyazepane-2,7-dione
CID 134892605
(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonyloxy]propanoate
CID 122671168
(2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butanoate
CID 129142210

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpyrrole;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione?
The IUPAC name of 1-tert-butylpyrrole;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione (CID 160926267) is 1-tert-butylpyrrole;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-tert-butylpyrrole;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione?
The canonical SMILES for 1-tert-butylpyrrole;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione is CC(C)(C)ON1C(=O)CCC1=O.CC(C)(C)n1cccc1.
What is the InChIKey of 1-tert-butylpyrrole;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione?
The InChIKey is SSRHPGMCAUTOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3.C8H13N/c1-8(2,3)12-9-6(10)4-5-7(9)11;1-8(2,3)9-6-4-5-7-9/h4-5H2,1-3H3;4-7H,1-3H3.
What are the key properties of 1-tert-butylpyrrole;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione?
1-tert-butylpyrrole;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione has a molecular weight of 294.39 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpyrrole;1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2,5-dione is sourced from PubChem (CID 160926267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).