ethyl propanoate;imidazolidine-2,4-dione

C8H14N2O4 — CID 174888104

IUPACethyl propanoate;imidazolidine-2,4-dione
SMILESCCOC(=O)CC.O=C1CNC(=O)N1
InChIInChI=1S/C5H10O2.C3H4N2O2/c1-3-5(6)7-4-2;6-2-1-4-3(7)5-2/h3-4H2,1-2H3;1H2,(H2,4,5,6,7)
InChIKeySSPGJHDBFKVWMH-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.21
Rot. Bonds2

About ethyl propanoate;imidazolidine-2,4-dione

ethyl propanoate;imidazolidine-2,4-dione (PubChem CID 174888104) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is ethyl propanoate;imidazolidine-2,4-dione.

Molecular Properties

Compound Nameethyl propanoate;imidazolidine-2,4-dione
PubChem CID174888104
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Nameethyl propanoate;imidazolidine-2,4-dione
SMILESCCOC(=O)CC.O=C1CNC(=O)N1
InChIInChI=1S/C5H10O2.C3H4N2O2/c1-3-5(6)7-4-2;6-2-1-4-3(7)5-2/h3-4H2,1-2H3;1H2,(H2,4,5,6,7)
InChIKeySSPGJHDBFKVWMH-UHFFFAOYSA-N
XLogP-0.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

acetamide;imidazolidine-2,4-dione
CID 159110028
ethyl propanoate;titanium(4+);tetrachloride
CID 173205872
ethane;imidazolidine-2,4-dione
CID 90911393
ethyl propanoate;tin(2+);dichloride
CID 171374953
ethyl propanoate;methane
CID 161360642
copper;imidazolidine-2,4-dione
CID 67120841
alumane;ethyl propanoate
CID 174257559
imidazolidine-2,4-dione;trihydrate
CID 70617866
calcium;ethyl propanoate;hydride
CID 173132885
dodecanoic acid;imidazolidine-2,4-dione
CID 174508085
3-O-(3-ethoxy-3-oxopropanoyl) 1-O-ethyl propanedioate
CID 15707103
ethyl (3R)-3-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-3-carboxylate
CID 97184502

Frequently Asked Questions

What is the IUPAC name of ethyl propanoate;imidazolidine-2,4-dione?
The IUPAC name of ethyl propanoate;imidazolidine-2,4-dione (CID 174888104) is ethyl propanoate;imidazolidine-2,4-dione.
What is the SMILES notation for ethyl propanoate;imidazolidine-2,4-dione?
The canonical SMILES for ethyl propanoate;imidazolidine-2,4-dione is CCOC(=O)CC.O=C1CNC(=O)N1.
What is the InChIKey of ethyl propanoate;imidazolidine-2,4-dione?
The InChIKey is SSPGJHDBFKVWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C3H4N2O2/c1-3-5(6)7-4-2;6-2-1-4-3(7)5-2/h3-4H2,1-2H3;1H2,(H2,4,5,6,7).
What are the key properties of ethyl propanoate;imidazolidine-2,4-dione?
ethyl propanoate;imidazolidine-2,4-dione has a molecular weight of 202.21 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl propanoate;imidazolidine-2,4-dione is sourced from PubChem (CID 174888104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).