ethane;imidazolidine-2,4-dione

C7H16N2O2 — CID 90911393

IUPACethane;imidazolidine-2,4-dione
SMILESCC.CC.O=C1CNC(=O)N1
InChIInChI=1S/C3H4N2O2.2C2H6/c6-2-1-4-3(7)5-2;2*1-2/h1H2,(H2,4,5,6,7);2*1-2H3
InChIKeyOCVXBGCYZRXZNS-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.88
Rot. Bonds

About ethane;imidazolidine-2,4-dione

ethane;imidazolidine-2,4-dione (PubChem CID 90911393) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is ethane;imidazolidine-2,4-dione.

Molecular Properties

Compound Nameethane;imidazolidine-2,4-dione
PubChem CID90911393
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Nameethane;imidazolidine-2,4-dione
SMILESCC.CC.O=C1CNC(=O)N1
InChIInChI=1S/C3H4N2O2.2C2H6/c6-2-1-4-3(7)5-2;2*1-2/h1H2,(H2,4,5,6,7);2*1-2H3
InChIKeyOCVXBGCYZRXZNS-UHFFFAOYSA-N
XLogP0.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

copper;imidazolidine-2,4-dione
CID 67120841
imidazolidine-2,4-dione;trihydrate
CID 70617866
acetamide;imidazolidine-2,4-dione
CID 159110028
1,3-dimethylimidazolidine-2,4-dione;imidazolidine-2,4-dione
CID 71073934
CID 67541617
CID 67541617
imidazolidine-2,4-dione;pyrazolidin-3-one
CID 67936630
1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 71356739
aziridin-2-one
CID 158991665
ethyl propanoate;imidazolidine-2,4-dione
CID 174888104
imidazole-2,4-dione;imidazolidine-2,4-dione
CID 160657989
dodecanoic acid;imidazolidine-2,4-dione
CID 174508085
bis(1,3-diazinane-2,4,6-trione);rubidium(1+);bromide
CID 139202074

Frequently Asked Questions

What is the IUPAC name of ethane;imidazolidine-2,4-dione?
The IUPAC name of ethane;imidazolidine-2,4-dione (CID 90911393) is ethane;imidazolidine-2,4-dione.
What is the SMILES notation for ethane;imidazolidine-2,4-dione?
The canonical SMILES for ethane;imidazolidine-2,4-dione is CC.CC.O=C1CNC(=O)N1.
What is the InChIKey of ethane;imidazolidine-2,4-dione?
The InChIKey is OCVXBGCYZRXZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O2.2C2H6/c6-2-1-4-3(7)5-2;2*1-2/h1H2,(H2,4,5,6,7);2*1-2H3.
What are the key properties of ethane;imidazolidine-2,4-dione?
ethane;imidazolidine-2,4-dione has a molecular weight of 160.22 g/mol, XLogP of 0.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;imidazolidine-2,4-dione is sourced from PubChem (CID 90911393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).