ethyl (E)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate

C14H16N2O3 — CID 141319024

IUPACethyl (E)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C14H16N2O3/c1-2-19-13(17)8-5-11-3-6-12(7-4-11)16-10-9-15-14(16)18/h3-8H,2,9-10H2,1H3,(H,15,18)/b8-5+
InChIKeyCWTUMDKWGQPTQF-VMPITWQZSA-N
MW260.29 g/mol
LogP1.79
Rot. Bonds4

About ethyl (E)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate

ethyl (E)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate (PubChem CID 141319024) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl (E)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate
PubChem CID141319024
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Nameethyl (E)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C14H16N2O3/c1-2-19-13(17)8-5-11-3-6-12(7-4-11)16-10-9-15-14(16)18/h3-8H,2,9-10H2,1H3,(H,15,18)/b8-5+
InChIKeyCWTUMDKWGQPTQF-VMPITWQZSA-N
XLogP1.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate
CID 70076895
(E)-3-(4-ethoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide
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ethyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate
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ethyl (E)-3-[4-(3-oxo-1H-isoindol-2-yl)phenyl]prop-2-enoate
CID 67044953
ethyl (E)-3-(4-pyrrol-1-ylphenyl)prop-2-enoate
CID 18923354
ethyl 4-[4-(2-oxoimidazolidin-1-yl)benzoyl]piperazine-1-carboxylate
CID 51298973
ethyl 3-(3,4-diaminophenyl)prop-2-enoate
CID 169480115
ethyl 3-[3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate
CID 54417365
ethyl (E)-3-[4-(2,2-dihydroxyethyl)phenyl]prop-2-enoate
CID 20644926
ethyl 3-(3-pyrrolidin-1-ylphenyl)prop-2-enoate
CID 169480918

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate (CID 141319024) is ethyl (E)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate is CCOC(=O)/C=C/c1ccc(N2CCNC2=O)cc1.
What is the InChIKey of ethyl (E)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate?
The InChIKey is CWTUMDKWGQPTQF-VMPITWQZSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-19-13(17)8-5-11-3-6-12(7-4-11)16-10-9-15-14(16)18/h3-8H,2,9-10H2,1H3,(H,15,18)/b8-5+.
What are the key properties of ethyl (E)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate?
ethyl (E)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate has a molecular weight of 260.29 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate is sourced from PubChem (CID 141319024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).