3,5-dimethylimidazolidin-4-one

C5H10N2O — CID 12794135

IUPAC3,5-dimethylimidazolidin-4-one
SMILESCC1NCN(C)C1=O
InChIInChI=1S/C5H10N2O/c1-4-5(8)7(2)3-6-4/h4,6H,3H2,1-2H3
InChIKeyVPZBJFGUILDYED-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.61
Rot. Bonds

About 3,5-dimethylimidazolidin-4-one

3,5-dimethylimidazolidin-4-one (PubChem CID 12794135) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 3,5-dimethylimidazolidin-4-one.

Molecular Properties

Compound Name3,5-dimethylimidazolidin-4-one
PubChem CID12794135
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name3,5-dimethylimidazolidin-4-one
SMILESCC1NCN(C)C1=O
InChIInChI=1S/C5H10N2O/c1-4-5(8)7(2)3-6-4/h4,6H,3H2,1-2H3
InChIKeyVPZBJFGUILDYED-UHFFFAOYSA-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 3,5-dimethylimidazolidin-4-one?
The IUPAC name of 3,5-dimethylimidazolidin-4-one (CID 12794135) is 3,5-dimethylimidazolidin-4-one.
What is the SMILES notation for 3,5-dimethylimidazolidin-4-one?
The canonical SMILES for 3,5-dimethylimidazolidin-4-one is CC1NCN(C)C1=O.
What is the InChIKey of 3,5-dimethylimidazolidin-4-one?
The InChIKey is VPZBJFGUILDYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-4-5(8)7(2)3-6-4/h4,6H,3H2,1-2H3.
What are the key properties of 3,5-dimethylimidazolidin-4-one?
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 3,5-dimethylimidazolidin-4-one is sourced from PubChem (CID 12794135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).