ethyl 2-[2-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetate

C14H14N2O5 — CID 2287703

IUPACethyl 2-[2-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1/C=C1\NC(=O)NC1=O
InChIInChI=1S/C14H14N2O5/c1-2-20-12(17)8-21-11-6-4-3-5-9(11)7-10-13(18)16-14(19)15-10/h3-7H,2,8H2,1H3,(H2,15,16,18,19)/b10-7-
InChIKeyAZRWWSXGFMNHEO-YFHOEESVSA-N
MW290.28 g/mol
LogP0.81
Rot. Bonds5

About ethyl 2-[2-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetate

ethyl 2-[2-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetate (PubChem CID 2287703) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is ethyl 2-[2-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetate
PubChem CID2287703
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Nameethyl 2-[2-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1/C=C1\NC(=O)NC1=O
InChIInChI=1S/C14H14N2O5/c1-2-20-12(17)8-21-11-6-4-3-5-9(11)7-10-13(18)16-14(19)15-10/h3-7H,2,8H2,1H3,(H2,15,16,18,19)/b10-7-
InChIKeyAZRWWSXGFMNHEO-YFHOEESVSA-N
XLogP0.81
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-[2-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[2-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetate (CID 2287703) is ethyl 2-[2-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetate is CCOC(=O)COc1ccccc1/C=C1\NC(=O)NC1=O.
What is the InChIKey of ethyl 2-[2-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetate?
The InChIKey is AZRWWSXGFMNHEO-YFHOEESVSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-2-20-12(17)8-21-11-6-4-3-5-9(11)7-10-13(18)16-14(19)15-10/h3-7H,2,8H2,1H3,(H2,15,16,18,19)/b10-7-.
What are the key properties of ethyl 2-[2-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetate?
ethyl 2-[2-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetate has a molecular weight of 290.28 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetate is sourced from PubChem (CID 2287703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).