1-methylimidazolidin-2-one

C4H8N2O — CID 567600

IUPAC1-methylimidazolidin-2-one
SMILESCN1CCNC1=O
InChIInChI=1S/C4H8N2O/c1-6-3-2-5-4(6)7/h2-3H2,1H3,(H,5,7)
InChIKeyJTPZTKBRUCILQD-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.36
Rot. Bonds

About 1-methylimidazolidin-2-one

1-methylimidazolidin-2-one (PubChem CID 567600) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 1-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-methylimidazolidin-2-one
PubChem CID567600
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name1-methylimidazolidin-2-one
SMILESCN1CCNC1=O
InChIInChI=1S/C4H8N2O/c1-6-3-2-5-4(6)7/h2-3H2,1H3,(H,5,7)
InChIKeyJTPZTKBRUCILQD-UHFFFAOYSA-N
XLogP-0.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-methylimidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methylimidazolidin-2-one?
The IUPAC name of 1-methylimidazolidin-2-one (CID 567600) is 1-methylimidazolidin-2-one.
What is the SMILES notation for 1-methylimidazolidin-2-one?
The canonical SMILES for 1-methylimidazolidin-2-one is CN1CCNC1=O.
What is the InChIKey of 1-methylimidazolidin-2-one?
The InChIKey is JTPZTKBRUCILQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c1-6-3-2-5-4(6)7/h2-3H2,1H3,(H,5,7).
What are the key properties of 1-methylimidazolidin-2-one?
1-methylimidazolidin-2-one has a molecular weight of 100.12 g/mol, XLogP of -0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazolidin-2-one is sourced from PubChem (CID 567600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).