ethyl 2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate

C11H14N2O4 — CID 72810380

IUPACethyl 2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate
SMILESCCOC(=O)C1C2CCC3(NC(=O)NC3=O)C21
InChIInChI=1S/C11H14N2O4/c1-2-17-8(14)6-5-3-4-11(7(5)6)9(15)12-10(16)13-11/h5-7H,2-4H2,1H3,(H2,12,13,15,16)
InChIKeyDOMXPWHMRGUFMM-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.22
Rot. Bonds2

About ethyl 2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate

ethyl 2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate (PubChem CID 72810380) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is ethyl 2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate.

Molecular Properties

Compound Nameethyl 2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate
PubChem CID72810380
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Nameethyl 2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate
SMILESCCOC(=O)C1C2CCC3(NC(=O)NC3=O)C21
InChIInChI=1S/C11H14N2O4/c1-2-17-8(14)6-5-3-4-11(7(5)6)9(15)12-10(16)13-11/h5-7H,2-4H2,1H3,(H2,12,13,15,16)
InChIKeyDOMXPWHMRGUFMM-UHFFFAOYSA-N
XLogP-0.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate?
The IUPAC name of ethyl 2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate (CID 72810380) is ethyl 2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate.
What is the SMILES notation for ethyl 2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate?
The canonical SMILES for ethyl 2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate is CCOC(=O)C1C2CCC3(NC(=O)NC3=O)C21.
What is the InChIKey of ethyl 2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate?
The InChIKey is DOMXPWHMRGUFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-2-17-8(14)6-5-3-4-11(7(5)6)9(15)12-10(16)13-11/h5-7H,2-4H2,1H3,(H2,12,13,15,16).
What are the key properties of ethyl 2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate?
ethyl 2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate has a molecular weight of 238.24 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylate is sourced from PubChem (CID 72810380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).