1-butanoyl-3-tert-butylimidazolidin-2-one

C11H20N2O2 — CID 139797655

IUPAC1-butanoyl-3-tert-butylimidazolidin-2-one
SMILESCCCC(=O)N1CCN(C(C)(C)C)C1=O
InChIInChI=1S/C11H20N2O2/c1-5-6-9(14)12-7-8-13(10(12)15)11(2,3)4/h5-8H2,1-4H3
InChIKeyMEFIBXHIJORFAT-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.85
Rot. Bonds2

About 1-butanoyl-3-tert-butylimidazolidin-2-one

1-butanoyl-3-tert-butylimidazolidin-2-one (PubChem CID 139797655) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-butanoyl-3-tert-butylimidazolidin-2-one.

Molecular Properties

Compound Name1-butanoyl-3-tert-butylimidazolidin-2-one
PubChem CID139797655
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-butanoyl-3-tert-butylimidazolidin-2-one
SMILESCCCC(=O)N1CCN(C(C)(C)C)C1=O
InChIInChI=1S/C11H20N2O2/c1-5-6-9(14)12-7-8-13(10(12)15)11(2,3)4/h5-8H2,1-4H3
InChIKeyMEFIBXHIJORFAT-UHFFFAOYSA-N
XLogP1.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-Tert-butyl-1-methylimidazolidine-2,4-dione
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3-(2-(Diethylamino)ethyl)-5,5-dimethylhydantoin
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3-(3-Chloro-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride
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CID 54587423
3-(2-(Dimethylamino)ethyl)-5,5-dimethylhydantoin
CID 298086
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CID 21862191
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CID 129727004
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Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-3-tert-butylimidazolidin-2-one?
The IUPAC name of 1-butanoyl-3-tert-butylimidazolidin-2-one (CID 139797655) is 1-butanoyl-3-tert-butylimidazolidin-2-one.
What is the SMILES notation for 1-butanoyl-3-tert-butylimidazolidin-2-one?
The canonical SMILES for 1-butanoyl-3-tert-butylimidazolidin-2-one is CCCC(=O)N1CCN(C(C)(C)C)C1=O.
What is the InChIKey of 1-butanoyl-3-tert-butylimidazolidin-2-one?
The InChIKey is MEFIBXHIJORFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-6-9(14)12-7-8-13(10(12)15)11(2,3)4/h5-8H2,1-4H3.
What are the key properties of 1-butanoyl-3-tert-butylimidazolidin-2-one?
1-butanoyl-3-tert-butylimidazolidin-2-one has a molecular weight of 212.29 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-3-tert-butylimidazolidin-2-one is sourced from PubChem (CID 139797655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).