5-ethyl-5-methyl-1,3-bis(2-methyloxiran-2-yl)imidazolidine-2,4-dione

C12H18N2O4 — CID 170781706

IUPAC5-ethyl-5-methyl-1,3-bis(2-methyloxiran-2-yl)imidazolidine-2,4-dione
SMILESCCC1(C)C(=O)N(C2(C)CO2)C(=O)N1C1(C)CO1
InChIInChI=1S/C12H18N2O4/c1-5-10(2)8(15)13(11(3)6-17-11)9(16)14(10)12(4)7-18-12/h5-7H2,1-4H3
InChIKeyHYFTVOWYUIPKFJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.91
Rot. Bonds3

About 5-ethyl-5-methyl-1,3-bis(2-methyloxiran-2-yl)imidazolidine-2,4-dione

5-ethyl-5-methyl-1,3-bis(2-methyloxiran-2-yl)imidazolidine-2,4-dione (PubChem CID 170781706) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-ethyl-5-methyl-1,3-bis(2-methyloxiran-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-5-methyl-1,3-bis(2-methyloxiran-2-yl)imidazolidine-2,4-dione
PubChem CID170781706
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name5-ethyl-5-methyl-1,3-bis(2-methyloxiran-2-yl)imidazolidine-2,4-dione
SMILESCCC1(C)C(=O)N(C2(C)CO2)C(=O)N1C1(C)CO1
InChIInChI=1S/C12H18N2O4/c1-5-10(2)8(15)13(11(3)6-17-11)9(16)14(10)12(4)7-18-12/h5-7H2,1-4H3
InChIKeyHYFTVOWYUIPKFJ-UHFFFAOYSA-N
XLogP0.91
TPSA65.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-5-methyl-1,3-bis(oxiran-2-ylmethyl)imidazolidine-2,4-dione
CID 27204
1-[(2-ethyloxiran-2-yl)methyl]pyrrole-2,5-dione
CID 122459298
5-ethyl-1,3-dimethoxy-5-methylimidazolidine-2,4-dione
CID 67068403
(1S,7S)-4-ethyl-1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decane
CID 92857042
3,5-diethyl-1,3,4,5-tetramethylpiperazin-2-one
CID 22094189
2-butan-2-ylidene-5,5-dimethylcyclohexane-1,3-dione
CID 89184950
(3S)-3-ethyl-3-methyloxetan-2-one
CID 102402061
3,5-diethyl-5-methyl-1,3-oxazolidin-2-one
CID 22000696
4-amino-7-ethyl-7-methyl-1,4-oxazepan-5-one
CID 91192626
1-(2,2-dimethyloxan-4-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115949002
3,3-dimethyl-5-propanoyl-1-oxa-5-azaspiro[5.5]undecan-4-one
CID 20720092
4-ethyl-4-methyloxolane-2,3-dione
CID 12948839

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-1,3-bis(2-methyloxiran-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-5-methyl-1,3-bis(2-methyloxiran-2-yl)imidazolidine-2,4-dione (CID 170781706) is 5-ethyl-5-methyl-1,3-bis(2-methyloxiran-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-5-methyl-1,3-bis(2-methyloxiran-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-5-methyl-1,3-bis(2-methyloxiran-2-yl)imidazolidine-2,4-dione is CCC1(C)C(=O)N(C2(C)CO2)C(=O)N1C1(C)CO1.
What is the InChIKey of 5-ethyl-5-methyl-1,3-bis(2-methyloxiran-2-yl)imidazolidine-2,4-dione?
The InChIKey is HYFTVOWYUIPKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-5-10(2)8(15)13(11(3)6-17-11)9(16)14(10)12(4)7-18-12/h5-7H2,1-4H3.
What are the key properties of 5-ethyl-5-methyl-1,3-bis(2-methyloxiran-2-yl)imidazolidine-2,4-dione?
5-ethyl-5-methyl-1,3-bis(2-methyloxiran-2-yl)imidazolidine-2,4-dione has a molecular weight of 254.29 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-1,3-bis(2-methyloxiran-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 170781706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).