2-(2,5-dioxoimidazolidin-1-yl)ethyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate

C16H16N2O5 — CID 71897620

IUPAC2-(2,5-dioxoimidazolidin-1-yl)ethyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
SMILESO=C(C=Cc1ccc2c(c1)CCO2)OCCN1C(=O)CNC1=O
InChIInChI=1S/C16H16N2O5/c19-14-10-17-16(21)18(14)6-8-23-15(20)4-2-11-1-3-13-12(9-11)5-7-22-13/h1-4,9H,5-8,10H2,(H,17,21)
InChIKeyCIYNOMCSHYYKLO-UHFFFAOYSA-N
MW316.31 g/mol
LogP0.73
Rot. Bonds5

About 2-(2,5-dioxoimidazolidin-1-yl)ethyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate

2-(2,5-dioxoimidazolidin-1-yl)ethyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate (PubChem CID 71897620) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-1-yl)ethyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-1-yl)ethyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
PubChem CID71897620
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name2-(2,5-dioxoimidazolidin-1-yl)ethyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
SMILESO=C(C=Cc1ccc2c(c1)CCO2)OCCN1C(=O)CNC1=O
InChIInChI=1S/C16H16N2O5/c19-14-10-17-16(21)18(14)6-8-23-15(20)4-2-11-1-3-13-12(9-11)5-7-22-13/h1-4,9H,5-8,10H2,(H,17,21)
InChIKeyCIYNOMCSHYYKLO-UHFFFAOYSA-N
XLogP0.73
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
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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Related Compounds

propyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
CID 112725026
fluoro (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
CID 143200425
3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 74868098
(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
CID 75365187
ethyl 4-(2,3-dihydro-1-benzofuran-5-yl)but-3-enoate
CID 170796261
N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]acetamide
CID 169465576
(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenol
CID 90352085
[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 55537264
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 156783239
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate
CID 7623150
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 71942506
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-4-ylprop-2-enamide
CID 39471751

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)ethyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate?
The IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)ethyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate (CID 71897620) is 2-(2,5-dioxoimidazolidin-1-yl)ethyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-1-yl)ethyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-1-yl)ethyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate is O=C(C=Cc1ccc2c(c1)CCO2)OCCN1C(=O)CNC1=O.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-1-yl)ethyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate?
The InChIKey is CIYNOMCSHYYKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c19-14-10-17-16(21)18(14)6-8-23-15(20)4-2-11-1-3-13-12(9-11)5-7-22-13/h1-4,9H,5-8,10H2,(H,17,21).
What are the key properties of 2-(2,5-dioxoimidazolidin-1-yl)ethyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate?
2-(2,5-dioxoimidazolidin-1-yl)ethyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate has a molecular weight of 316.31 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-1-yl)ethyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate is sourced from PubChem (CID 71897620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).