3-(2,2-dimethylpropyl)-2-methylimidazolidin-4-one

C9H18N2O — CID 83256549

IUPAC3-(2,2-dimethylpropyl)-2-methylimidazolidin-4-one
SMILESCC1NCC(=O)N1CC(C)(C)C
InChIInChI=1S/C9H18N2O/c1-7-10-5-8(12)11(7)6-9(2,3)4/h7,10H,5-6H2,1-4H3
InChIKeyOQRLGBYUEDDQEG-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.81
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-2-methylimidazolidin-4-one

3-(2,2-dimethylpropyl)-2-methylimidazolidin-4-one (PubChem CID 83256549) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-2-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-2-methylimidazolidin-4-one
PubChem CID83256549
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-(2,2-dimethylpropyl)-2-methylimidazolidin-4-one
SMILESCC1NCC(=O)N1CC(C)(C)C
InChIInChI=1S/C9H18N2O/c1-7-10-5-8(12)11(7)6-9(2,3)4/h7,10H,5-6H2,1-4H3
InChIKeyOQRLGBYUEDDQEG-UHFFFAOYSA-N
XLogP0.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-dimethylbutyl)-2-methylimidazolidin-4-one
CID 103466780
2-methyl-3-(2-methyl-2-methylsulfonylpropyl)imidazolidin-4-one
CID 83259357
3-[2-(dimethylamino)-2-methylpropyl]-2-methylimidazolidin-4-one
CID 83251851
3-(2,2-dimethylpropyl)-2-(4-fluorophenyl)imidazolidin-4-one
CID 83256551
3-(2,2-dicyclopropylethyl)-2-methylimidazolidin-4-one
CID 83259173
2-(4-chlorophenyl)-3-(2,2-dimethylpropyl)imidazolidin-4-one
CID 83256713
3-(2-butoxyethyl)-2-methylimidazolidin-4-one
CID 83254187
3-(2,2-dimethylpropyl)-2,5-dimethylimidazolidin-4-one
CID 83256720
3-[3-(diethylamino)propyl]-2-methylimidazolidin-4-one
CID 83237515
3-(3,3-dimethylbutan-2-yl)-2-methylimidazolidin-4-one
CID 104830759
3-(2,2-dimethylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one
CID 83247056
3-(2,2-dimethylpropyl)-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83247057

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-2-methylimidazolidin-4-one?
The IUPAC name of 3-(2,2-dimethylpropyl)-2-methylimidazolidin-4-one (CID 83256549) is 3-(2,2-dimethylpropyl)-2-methylimidazolidin-4-one.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-2-methylimidazolidin-4-one?
The canonical SMILES for 3-(2,2-dimethylpropyl)-2-methylimidazolidin-4-one is CC1NCC(=O)N1CC(C)(C)C.
What is the InChIKey of 3-(2,2-dimethylpropyl)-2-methylimidazolidin-4-one?
The InChIKey is OQRLGBYUEDDQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7-10-5-8(12)11(7)6-9(2,3)4/h7,10H,5-6H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-2-methylimidazolidin-4-one?
3-(2,2-dimethylpropyl)-2-methylimidazolidin-4-one has a molecular weight of 170.26 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-2-methylimidazolidin-4-one is sourced from PubChem (CID 83256549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).