1-(2,2-dimethylpropanoyl)-3-methylimidazolidin-4-one

C9H16N2O2 — CID 130670161

IUPAC1-(2,2-dimethylpropanoyl)-3-methylimidazolidin-4-one
SMILESCN1CN(C(=O)C(C)(C)C)CC1=O
InChIInChI=1S/C9H16N2O2/c1-9(2,3)8(13)11-5-7(12)10(4)6-11/h5-6H2,1-4H3
InChIKeyCBAUVVQEFNPKMT-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.29
Rot. Bonds

About 1-(2,2-dimethylpropanoyl)-3-methylimidazolidin-4-one

1-(2,2-dimethylpropanoyl)-3-methylimidazolidin-4-one (PubChem CID 130670161) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-3-methylimidazolidin-4-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-3-methylimidazolidin-4-one
PubChem CID130670161
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-(2,2-dimethylpropanoyl)-3-methylimidazolidin-4-one
SMILESCN1CN(C(=O)C(C)(C)C)CC1=O
InChIInChI=1S/C9H16N2O2/c1-9(2,3)8(13)11-5-7(12)10(4)6-11/h5-6H2,1-4H3
InChIKeyCBAUVVQEFNPKMT-UHFFFAOYSA-N
XLogP0.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-dimethylpropanoyl)-3-methylimidazolidin-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-(2,2-dimethylpropanoyl)-3-methylimidazolidin-4-one?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-3-methylimidazolidin-4-one (CID 130670161) is 1-(2,2-dimethylpropanoyl)-3-methylimidazolidin-4-one.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-3-methylimidazolidin-4-one?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-3-methylimidazolidin-4-one is CN1CN(C(=O)C(C)(C)C)CC1=O.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-3-methylimidazolidin-4-one?
The InChIKey is CBAUVVQEFNPKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-9(2,3)8(13)11-5-7(12)10(4)6-11/h5-6H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropanoyl)-3-methylimidazolidin-4-one?
1-(2,2-dimethylpropanoyl)-3-methylimidazolidin-4-one has a molecular weight of 184.24 g/mol, XLogP of 0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-3-methylimidazolidin-4-one is sourced from PubChem (CID 130670161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).