1-tert-butylpyrrolidin-2-one;1,3-ditert-butylimidazolidin-2-one

C19H37N3O2 — CID 161111435

IUPAC1-tert-butylpyrrolidin-2-one;1,3-ditert-butylimidazolidin-2-one
SMILESCC(C)(C)N1CCCC1=O.CC(C)(C)N1CCN(C(C)(C)C)C1=O
InChIInChI=1S/C11H22N2O.C8H15NO/c1-10(2,3)12-7-8-13(9(12)14)11(4,5)6;1-8(2,3)9-6-4-5-7(9)10/h7-8H2,1-6H3;4-6H2,1-3H3
InChIKeyUJSYTHHYMCCZIR-UHFFFAOYSA-N
MW339.52 g/mol
LogP3.73
Rot. Bonds

About 1-tert-butylpyrrolidin-2-one;1,3-ditert-butylimidazolidin-2-one

1-tert-butylpyrrolidin-2-one;1,3-ditert-butylimidazolidin-2-one (PubChem CID 161111435) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is 1-tert-butylpyrrolidin-2-one;1,3-ditert-butylimidazolidin-2-one.

Molecular Properties

Compound Name1-tert-butylpyrrolidin-2-one;1,3-ditert-butylimidazolidin-2-one
PubChem CID161111435
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC Name1-tert-butylpyrrolidin-2-one;1,3-ditert-butylimidazolidin-2-one
SMILESCC(C)(C)N1CCCC1=O.CC(C)(C)N1CCN(C(C)(C)C)C1=O
InChIInChI=1S/C11H22N2O.C8H15NO/c1-10(2,3)12-7-8-13(9(12)14)11(4,5)6;1-8(2,3)9-6-4-5-7(9)10/h7-8H2,1-6H3;4-6H2,1-3H3
InChIKeyUJSYTHHYMCCZIR-UHFFFAOYSA-N
XLogP3.73
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1'-Ethylidenedi-2-pyrrolidinone
CID 13379697
1-[1-(2-Oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one
CID 13742343
Dimethyl-[2-[methyl-di(propan-2-yl)azaniumyl]ethyl]-(1-methyl-2-oxopyrrolidin-1-ium-1-carbonyl)azanium
CID 21299608
5-Ethyl-1-[(5-ethyl-5-methyl-2,4-dioxo-3-propylimidazolidin-1-yl)methyl]-5-methyl-3-propylimidazolidine-2,4-dione
CID 57688819
1,3-Dimethylimidazolidin-2-one;1-methylpyrrolidin-2-one
CID 68649710
1-[2-(2-Oxopyrrolidin-1-yl)butan-2-yl]pyrrolidin-2-one
CID 68731739
1,3-Dimethylimidazolidin-2-one;1-ethylpyrrolidin-2-one
CID 90027470
1-(1-Acetylpyrrolidin-2-yl)pyrrolidin-2-one
CID 91117482
1-Butanoyl-3-tert-butylimidazolidin-2-one
CID 139797655
CID 157083266
CID 157083266
1-Tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one
CID 157707633
Ethane;1-methyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylpyrrolidin-2-one
CID 158646811

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpyrrolidin-2-one;1,3-ditert-butylimidazolidin-2-one?
The IUPAC name of 1-tert-butylpyrrolidin-2-one;1,3-ditert-butylimidazolidin-2-one (CID 161111435) is 1-tert-butylpyrrolidin-2-one;1,3-ditert-butylimidazolidin-2-one.
What is the SMILES notation for 1-tert-butylpyrrolidin-2-one;1,3-ditert-butylimidazolidin-2-one?
The canonical SMILES for 1-tert-butylpyrrolidin-2-one;1,3-ditert-butylimidazolidin-2-one is CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCN(C(C)(C)C)C1=O.
What is the InChIKey of 1-tert-butylpyrrolidin-2-one;1,3-ditert-butylimidazolidin-2-one?
The InChIKey is UJSYTHHYMCCZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.C8H15NO/c1-10(2,3)12-7-8-13(9(12)14)11(4,5)6;1-8(2,3)9-6-4-5-7(9)10/h7-8H2,1-6H3;4-6H2,1-3H3.
What are the key properties of 1-tert-butylpyrrolidin-2-one;1,3-ditert-butylimidazolidin-2-one?
1-tert-butylpyrrolidin-2-one;1,3-ditert-butylimidazolidin-2-one has a molecular weight of 339.52 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpyrrolidin-2-one;1,3-ditert-butylimidazolidin-2-one is sourced from PubChem (CID 161111435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).