ethyl 5-methylidene-2,4-dioxoimidazolidine-1-carboxylate

C7H8N2O4 — CID 70540282

IUPACethyl 5-methylidene-2,4-dioxoimidazolidine-1-carboxylate
SMILESC=C1C(=O)NC(=O)N1C(=O)OCC
InChIInChI=1S/C7H8N2O4/c1-3-13-7(12)9-4(2)5(10)8-6(9)11/h2-3H2,1H3,(H,8,10,11)
InChIKeyXZILANBWXTUURH-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.21
Rot. Bonds1

About ethyl 5-methylidene-2,4-dioxoimidazolidine-1-carboxylate

ethyl 5-methylidene-2,4-dioxoimidazolidine-1-carboxylate (PubChem CID 70540282) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is ethyl 5-methylidene-2,4-dioxoimidazolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-methylidene-2,4-dioxoimidazolidine-1-carboxylate
PubChem CID70540282
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Nameethyl 5-methylidene-2,4-dioxoimidazolidine-1-carboxylate
SMILESC=C1C(=O)NC(=O)N1C(=O)OCC
InChIInChI=1S/C7H8N2O4/c1-3-13-7(12)9-4(2)5(10)8-6(9)11/h2-3H2,1H3,(H,8,10,11)
InChIKeyXZILANBWXTUURH-UHFFFAOYSA-N
XLogP0.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methylidene-2,4-dioxoimidazolidine-1-carboxylate?
The IUPAC name of ethyl 5-methylidene-2,4-dioxoimidazolidine-1-carboxylate (CID 70540282) is ethyl 5-methylidene-2,4-dioxoimidazolidine-1-carboxylate.
What is the SMILES notation for ethyl 5-methylidene-2,4-dioxoimidazolidine-1-carboxylate?
The canonical SMILES for ethyl 5-methylidene-2,4-dioxoimidazolidine-1-carboxylate is C=C1C(=O)NC(=O)N1C(=O)OCC.
What is the InChIKey of ethyl 5-methylidene-2,4-dioxoimidazolidine-1-carboxylate?
The InChIKey is XZILANBWXTUURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-3-13-7(12)9-4(2)5(10)8-6(9)11/h2-3H2,1H3,(H,8,10,11).
What are the key properties of ethyl 5-methylidene-2,4-dioxoimidazolidine-1-carboxylate?
ethyl 5-methylidene-2,4-dioxoimidazolidine-1-carboxylate has a molecular weight of 184.15 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methylidene-2,4-dioxoimidazolidine-1-carboxylate is sourced from PubChem (CID 70540282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).