3-methyl-2-methylideneimidazolidin-4-one

C5H8N2O — CID 59386261

IUPAC3-methyl-2-methylideneimidazolidin-4-one
SMILESC=C1NCC(=O)N1C
InChIInChI=1S/C5H8N2O/c1-4-6-3-5(8)7(4)2/h6H,1,3H2,2H3
InChIKeyFOGQLDPEZPPMGZ-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.48
Rot. Bonds

About 3-methyl-2-methylideneimidazolidin-4-one

3-methyl-2-methylideneimidazolidin-4-one (PubChem CID 59386261) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 3-methyl-2-methylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-methyl-2-methylideneimidazolidin-4-one
PubChem CID59386261
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name3-methyl-2-methylideneimidazolidin-4-one
SMILESC=C1NCC(=O)N1C
InChIInChI=1S/C5H8N2O/c1-4-6-3-5(8)7(4)2/h6H,1,3H2,2H3
InChIKeyFOGQLDPEZPPMGZ-UHFFFAOYSA-N
XLogP-0.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylideneimidazolidin-4-one?
The IUPAC name of 3-methyl-2-methylideneimidazolidin-4-one (CID 59386261) is 3-methyl-2-methylideneimidazolidin-4-one.
What is the SMILES notation for 3-methyl-2-methylideneimidazolidin-4-one?
The canonical SMILES for 3-methyl-2-methylideneimidazolidin-4-one is C=C1NCC(=O)N1C.
What is the InChIKey of 3-methyl-2-methylideneimidazolidin-4-one?
The InChIKey is FOGQLDPEZPPMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-4-6-3-5(8)7(4)2/h6H,1,3H2,2H3.
What are the key properties of 3-methyl-2-methylideneimidazolidin-4-one?
3-methyl-2-methylideneimidazolidin-4-one has a molecular weight of 112.13 g/mol, XLogP of -0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylideneimidazolidin-4-one is sourced from PubChem (CID 59386261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).