1,3-diethyl-2,5-dimethylideneimidazolidin-4-one

C9H14N2O — CID 22947371

IUPAC1,3-diethyl-2,5-dimethylideneimidazolidin-4-one
SMILESC=c1c(=O)n(CC)c(=C)n1CC
InChIInChI=1S/C9H14N2O/c1-5-10-7(3)9(12)11(6-2)8(10)4/h3-6H2,1-2H3
InChIKeyYZDAFDUKMCTKFN-UHFFFAOYSA-N
MW166.22 g/mol
LogP-0.49
Rot. Bonds2

About 1,3-diethyl-2,5-dimethylideneimidazolidin-4-one

1,3-diethyl-2,5-dimethylideneimidazolidin-4-one (PubChem CID 22947371) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1,3-diethyl-2,5-dimethylideneimidazolidin-4-one.

Molecular Properties

Compound Name1,3-diethyl-2,5-dimethylideneimidazolidin-4-one
PubChem CID22947371
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1,3-diethyl-2,5-dimethylideneimidazolidin-4-one
SMILESC=c1c(=O)n(CC)c(=C)n1CC
InChIInChI=1S/C9H14N2O/c1-5-10-7(3)9(12)11(6-2)8(10)4/h3-6H2,1-2H3
InChIKeyYZDAFDUKMCTKFN-UHFFFAOYSA-N
XLogP-0.49
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3-diethyl-2,5-dimethylideneimidazolidin-4-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 1,3-diethyl-2,5-dimethylideneimidazolidin-4-one?
The IUPAC name of 1,3-diethyl-2,5-dimethylideneimidazolidin-4-one (CID 22947371) is 1,3-diethyl-2,5-dimethylideneimidazolidin-4-one.
What is the SMILES notation for 1,3-diethyl-2,5-dimethylideneimidazolidin-4-one?
The canonical SMILES for 1,3-diethyl-2,5-dimethylideneimidazolidin-4-one is C=c1c(=O)n(CC)c(=C)n1CC.
What is the InChIKey of 1,3-diethyl-2,5-dimethylideneimidazolidin-4-one?
The InChIKey is YZDAFDUKMCTKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-5-10-7(3)9(12)11(6-2)8(10)4/h3-6H2,1-2H3.
What are the key properties of 1,3-diethyl-2,5-dimethylideneimidazolidin-4-one?
1,3-diethyl-2,5-dimethylideneimidazolidin-4-one has a molecular weight of 166.22 g/mol, XLogP of -0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2,5-dimethylideneimidazolidin-4-one is sourced from PubChem (CID 22947371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).