ethane;3-ethyl-1-methylimidazolidine-2,4-dione

C8H16N2O2 — CID 142101907

IUPACethane;3-ethyl-1-methylimidazolidine-2,4-dione
SMILESCC.CCN1C(=O)CN(C)C1=O
InChIInChI=1S/C6H10N2O2.C2H6/c1-3-8-5(9)4-7(2)6(8)10;1-2/h3-4H2,1-2H3;1-2H3
InChIKeySLNVMYSOMBVAQJ-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.93
Rot. Bonds1

About ethane;3-ethyl-1-methylimidazolidine-2,4-dione

ethane;3-ethyl-1-methylimidazolidine-2,4-dione (PubChem CID 142101907) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is ethane;3-ethyl-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Nameethane;3-ethyl-1-methylimidazolidine-2,4-dione
PubChem CID142101907
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Nameethane;3-ethyl-1-methylimidazolidine-2,4-dione
SMILESCC.CCN1C(=O)CN(C)C1=O
InChIInChI=1S/C6H10N2O2.C2H6/c1-3-8-5(9)4-7(2)6(8)10;1-2/h3-4H2,1-2H3;1-2H3
InChIKeySLNVMYSOMBVAQJ-UHFFFAOYSA-N
XLogP0.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 5001929
3-(3-bromopropyl)-1-methylimidazolidine-2,4-dione
CID 43135403
3-(2-fluoroethyl)-1-methylimidazolidine-2,4-dione
CID 127013693
3-(3-chloropropyl)-1-methylimidazolidine-2,4-dione
CID 28824124
3-[2-(bromomethyl)-2-propylpentyl]-1-methylimidazolidine-2,4-dione
CID 65006074
1,3-dimethylimidazolidine-2,4-dione;ethane;1-ethyl-3-methylimidazolidine-2,4-dione
CID 142135438
3-(2-hydroxy-2-methylpropyl)-1-methylimidazolidine-2,4-dione
CID 83817541
1-ethyl-3-methyl-1,3-diazinane-2,4,6-trione
CID 12864692
1-methyl-3-(4-oxohexyl)imidazolidine-2,4-dione
CID 106801687
3-(3-amino-3-methylbutyl)-1-methylimidazolidine-2,4-dione
CID 83819144
1-methyl-3-[(2-methylcyclopropyl)methyl]imidazolidine-2,4-dione
CID 130666724
ethyl 3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 43242890

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-1-methylimidazolidine-2,4-dione?
The IUPAC name of ethane;3-ethyl-1-methylimidazolidine-2,4-dione (CID 142101907) is ethane;3-ethyl-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for ethane;3-ethyl-1-methylimidazolidine-2,4-dione?
The canonical SMILES for ethane;3-ethyl-1-methylimidazolidine-2,4-dione is CC.CCN1C(=O)CN(C)C1=O.
What is the InChIKey of ethane;3-ethyl-1-methylimidazolidine-2,4-dione?
The InChIKey is SLNVMYSOMBVAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2.C2H6/c1-3-8-5(9)4-7(2)6(8)10;1-2/h3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;3-ethyl-1-methylimidazolidine-2,4-dione?
ethane;3-ethyl-1-methylimidazolidine-2,4-dione has a molecular weight of 172.23 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 142101907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).