5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione;propan-2-ol

C11H20N2O4 — CID 158725431

IUPAC5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione;propan-2-ol
SMILESCC(C)O.CC1(C)C(=O)NC(=O)N1CC1CO1
InChIInChI=1S/C8H12N2O3.C3H8O/c1-8(2)6(11)9-7(12)10(8)3-5-4-13-5;1-3(2)4/h5H,3-4H2,1-2H3,(H,9,11,12);3-4H,1-2H3
InChIKeyIKLCAHDGSGDQAG-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.10
Rot. Bonds2

About 5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione;propan-2-ol

5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione;propan-2-ol (PubChem CID 158725431) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione;propan-2-ol.

Molecular Properties

Compound Name5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione;propan-2-ol
PubChem CID158725431
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione;propan-2-ol
SMILESCC(C)O.CC1(C)C(=O)NC(=O)N1CC1CO1
InChIInChI=1S/C8H12N2O3.C3H8O/c1-8(2)6(11)9-7(12)10(8)3-5-4-13-5;1-3(2)4/h5H,3-4H2,1-2H3,(H,9,11,12);3-4H,1-2H3
InChIKeyIKLCAHDGSGDQAG-UHFFFAOYSA-N
XLogP0.10
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione;propan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

5,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]imidazolidine-2,4-dione
CID 103140373
7,7,8,9,9-pentamethyl-1-(oxiran-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 88733499
5,5-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazolidine-2,4-dione
CID 102901153
5,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione
CID 66391954
3-(3-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione
CID 54162897
6,6-dimethyl-3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64900781
3a-methyl-3,6-bis(oxiran-2-ylmethyl)-4,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
CID 122582805
5,5-dimethyl-3-(oxiran-2-ylmethyl)-6-propan-2-yl-1,3-diazinane-2,4-dione
CID 154133288
3-[3-[4,4-dimethyl-3-(oxiran-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-hydroxy-2-(oxiran-2-ylmethyl)propyl]-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione
CID 20553845
5-ethyl-5-methyl-1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4-dione
CID 27204
6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873223
1-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 119521079

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione;propan-2-ol?
The IUPAC name of 5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione;propan-2-ol (CID 158725431) is 5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione;propan-2-ol.
What is the SMILES notation for 5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione;propan-2-ol?
The canonical SMILES for 5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione;propan-2-ol is CC(C)O.CC1(C)C(=O)NC(=O)N1CC1CO1.
What is the InChIKey of 5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione;propan-2-ol?
The InChIKey is IKLCAHDGSGDQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3.C3H8O/c1-8(2)6(11)9-7(12)10(8)3-5-4-13-5;1-3(2)4/h5H,3-4H2,1-2H3,(H,9,11,12);3-4H,1-2H3.
What are the key properties of 5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione;propan-2-ol?
5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione;propan-2-ol has a molecular weight of 244.29 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione;propan-2-ol is sourced from PubChem (CID 158725431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).