1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butylpyrrolidin-2-one

C16H31N3O2 — CID 161035716

IUPAC1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butylpyrrolidin-2-one
SMILESCC(C)(C)N1CCCC1=O.CN1CCN(C(C)(C)C)C1=O
InChIInChI=1S/C8H16N2O.C8H15NO/c1-8(2,3)10-6-5-9(4)7(10)11;1-8(2,3)9-6-4-5-7(9)10/h5-6H2,1-4H3;4-6H2,1-3H3
InChIKeyUAFMPKUZPSZLMV-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.56
Rot. Bonds

About 1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butylpyrrolidin-2-one

1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butylpyrrolidin-2-one (PubChem CID 161035716) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butylpyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butylpyrrolidin-2-one
PubChem CID161035716
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butylpyrrolidin-2-one
SMILESCC(C)(C)N1CCCC1=O.CN1CCN(C(C)(C)C)C1=O
InChIInChI=1S/C8H16N2O.C8H15NO/c1-8(2,3)10-6-5-9(4)7(10)11;1-8(2,3)9-6-4-5-7(9)10/h5-6H2,1-4H3;4-6H2,1-3H3
InChIKeyUAFMPKUZPSZLMV-UHFFFAOYSA-N
XLogP2.56
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one)
CID 167559472
1-tert-butylpyrrolidin-2-one;ethane
CID 143067264
1,3-ditert-butyl-1,3-diazepan-2-one
CID 59066323
1-tert-butylpyrrolidin-2-one;2-tert-butyl-1,2-thiazolidine 1,1-dioxide
CID 159975353
1-(1,1,2,2-tetrafluoropropyl)pyrrolidin-2-one
CID 122459061
2-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanoic acid
CID 114996165
methanethiol;1-methylpyrrolidin-2-one
CID 174894965
1,3-dimethylimidazolidin-2-one;hydrate
CID 68782599
1-tert-butyl-3-propan-2-yl-1,3-diazinan-2-one
CID 131992272
1-tert-butyl-3-(2-hydroxyethyl)imidazolidin-2-one
CID 84770128
1-(1,3-dihydroxy-2-methylpropan-2-yl)piperidin-2-one
CID 104550721
1-(2,4-dimethylpentan-2-yl)pyrrolidin-2-one
CID 130210872

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butylpyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butylpyrrolidin-2-one (CID 161035716) is 1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butylpyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butylpyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butylpyrrolidin-2-one is CC(C)(C)N1CCCC1=O.CN1CCN(C(C)(C)C)C1=O.
What is the InChIKey of 1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butylpyrrolidin-2-one?
The InChIKey is UAFMPKUZPSZLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C8H15NO/c1-8(2,3)10-6-5-9(4)7(10)11;1-8(2,3)9-6-4-5-7(9)10/h5-6H2,1-4H3;4-6H2,1-3H3.
What are the key properties of 1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butylpyrrolidin-2-one?
1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butylpyrrolidin-2-one has a molecular weight of 297.44 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butylpyrrolidin-2-one is sourced from PubChem (CID 161035716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).