(5S)-3,5-dimethylimidazolidin-4-one

C5H10N2O — CID 12794136

IUPAC(5S)-3,5-dimethylimidazolidin-4-one
SMILESC[C@@H]1NCN(C)C1=O
InChIInChI=1S/C5H10N2O/c1-4-5(8)7(2)3-6-4/h4,6H,3H2,1-2H3/t4-/m0/s1
InChIKeyVPZBJFGUILDYED-BYPYZUCNSA-N
MW114.15 g/mol
LogP-0.61
Rot. Bonds

About (5S)-3,5-dimethylimidazolidin-4-one

(5S)-3,5-dimethylimidazolidin-4-one (PubChem CID 12794136) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is (5S)-3,5-dimethylimidazolidin-4-one.

Molecular Properties

Compound Name(5S)-3,5-dimethylimidazolidin-4-one
PubChem CID12794136
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name(5S)-3,5-dimethylimidazolidin-4-one
SMILESC[C@@H]1NCN(C)C1=O
InChIInChI=1S/C5H10N2O/c1-4-5(8)7(2)3-6-4/h4,6H,3H2,1-2H3/t4-/m0/s1
InChIKeyVPZBJFGUILDYED-BYPYZUCNSA-N
XLogP-0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethylimidazolidin-4-one;methanol
CID 143342148
1,3-dimethylpiperazin-2-one;ethane
CID 163399035
1,3-dimethyl-1,4-diazepan-2-one;ethane
CID 143004866
(5S)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one
CID 124510324
5-methyl-3-(1-methylpiperidin-4-yl)imidazolidin-4-one
CID 83244069
3-(3,4-dimethylcyclohexyl)-5-methylimidazolidin-4-one
CID 83264832
3-cyclohexyl-5-methylimidazolidin-4-one
CID 83242864
5-methyl-3-(oxan-4-yl)imidazolidin-4-one
CID 83244206
5-methyl-3-(4-methylpentan-2-yl)imidazolidin-4-one
CID 83243923
3-[2-(2-methoxyethoxy)ethyl]-5-methylimidazolidin-4-one
CID 83256580
5-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]imidazolidin-4-one
CID 83255711
1,3-dimethyl-6-propan-2-ylpiperazin-2-one
CID 130002969

Frequently Asked Questions

What is the IUPAC name of (5S)-3,5-dimethylimidazolidin-4-one?
The IUPAC name of (5S)-3,5-dimethylimidazolidin-4-one (CID 12794136) is (5S)-3,5-dimethylimidazolidin-4-one.
What is the SMILES notation for (5S)-3,5-dimethylimidazolidin-4-one?
The canonical SMILES for (5S)-3,5-dimethylimidazolidin-4-one is C[C@@H]1NCN(C)C1=O.
What is the InChIKey of (5S)-3,5-dimethylimidazolidin-4-one?
The InChIKey is VPZBJFGUILDYED-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10N2O/c1-4-5(8)7(2)3-6-4/h4,6H,3H2,1-2H3/t4-/m0/s1.
What are the key properties of (5S)-3,5-dimethylimidazolidin-4-one?
(5S)-3,5-dimethylimidazolidin-4-one has a molecular weight of 114.15 g/mol, XLogP of -0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,5-dimethylimidazolidin-4-one is sourced from PubChem (CID 12794136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).