(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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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).