ethyl (E)-3-(2-phenylimidazol-1-yl)prop-2-enoate

C14H14N2O2 — CID 44593723

IUPACethyl (E)-3-(2-phenylimidazol-1-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/n1ccnc1-c1ccccc1
InChIInChI=1S/C14H14N2O2/c1-2-18-13(17)8-10-16-11-9-15-14(16)12-6-4-3-5-7-12/h3-11H,2H2,1H3/b10-8+
InChIKeyYFKXFOCASJBSEU-CSKARUKUSA-N
MW242.28 g/mol
LogP2.58
Rot. Bonds4

About ethyl (E)-3-(2-phenylimidazol-1-yl)prop-2-enoate

ethyl (E)-3-(2-phenylimidazol-1-yl)prop-2-enoate (PubChem CID 44593723) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is ethyl (E)-3-(2-phenylimidazol-1-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(2-phenylimidazol-1-yl)prop-2-enoate
PubChem CID44593723
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Nameethyl (E)-3-(2-phenylimidazol-1-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/n1ccnc1-c1ccccc1
InChIInChI=1S/C14H14N2O2/c1-2-18-13(17)8-10-16-11-9-15-14(16)12-6-4-3-5-7-12/h3-11H,2H2,1H3/b10-8+
InChIKeyYFKXFOCASJBSEU-CSKARUKUSA-N
XLogP2.58
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(2-aminoimidazol-1-yl)prop-2-enoate
CID 3658739
2-phenylimidazole-1-carbaldehyde
CID 57297932
ethyl (E)-3-(3,5-diphenylphenyl)prop-2-enoate
CID 22557638
2-ethoxy-3-(2-phenylimidazol-1-yl)propanoic acid
CID 63075138
ethyl 3-(N-methylanilino)prop-2-enoate
CID 174882513
ethyl (E)-3-indazol-1-ylprop-2-enoate
CID 56957510
2-(2-phenylimidazol-1-yl)butanoic acid
CID 61069183
ethyl 3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
CID 169481294
[(E)-3-ethoxy-3-oxoprop-1-enyl]-triphenylphosphanium
CID 59950522
ethyl 4-triphenylsilylbut-2-enoate
CID 71362828
ethyl (Z)-3-(4-methyl-2-oxoquinolin-1-yl)prop-2-enoate
CID 54601867
ethyl (Z)-3-diphenylphosphanylprop-2-enoate
CID 10826890

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(2-phenylimidazol-1-yl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(2-phenylimidazol-1-yl)prop-2-enoate (CID 44593723) is ethyl (E)-3-(2-phenylimidazol-1-yl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(2-phenylimidazol-1-yl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(2-phenylimidazol-1-yl)prop-2-enoate is CCOC(=O)/C=C/n1ccnc1-c1ccccc1.
What is the InChIKey of ethyl (E)-3-(2-phenylimidazol-1-yl)prop-2-enoate?
The InChIKey is YFKXFOCASJBSEU-CSKARUKUSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-2-18-13(17)8-10-16-11-9-15-14(16)12-6-4-3-5-7-12/h3-11H,2H2,1H3/b10-8+.
What are the key properties of ethyl (E)-3-(2-phenylimidazol-1-yl)prop-2-enoate?
ethyl (E)-3-(2-phenylimidazol-1-yl)prop-2-enoate has a molecular weight of 242.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(2-phenylimidazol-1-yl)prop-2-enoate is sourced from PubChem (CID 44593723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).