ethyl (Z)-3-(4-phenylimidazol-1-yl)prop-2-enoate

C14H14N2O2 — CID 44590196

IUPACethyl (Z)-3-(4-phenylimidazol-1-yl)prop-2-enoate
SMILESCCOC(=O)/C=C\n1cnc(-c2ccccc2)c1
InChIInChI=1S/C14H14N2O2/c1-2-18-14(17)8-9-16-10-13(15-11-16)12-6-4-3-5-7-12/h3-11H,2H2,1H3/b9-8-
InChIKeyBEKFBSWUSPGORQ-HJWRWDBZSA-N
MW242.28 g/mol
LogP2.58
Rot. Bonds4

About ethyl (Z)-3-(4-phenylimidazol-1-yl)prop-2-enoate

ethyl (Z)-3-(4-phenylimidazol-1-yl)prop-2-enoate (PubChem CID 44590196) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is ethyl (Z)-3-(4-phenylimidazol-1-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(4-phenylimidazol-1-yl)prop-2-enoate
PubChem CID44590196
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Nameethyl (Z)-3-(4-phenylimidazol-1-yl)prop-2-enoate
SMILESCCOC(=O)/C=C\n1cnc(-c2ccccc2)c1
InChIInChI=1S/C14H14N2O2/c1-2-18-14(17)8-9-16-10-13(15-11-16)12-6-4-3-5-7-12/h3-11H,2H2,1H3/b9-8-
InChIKeyBEKFBSWUSPGORQ-HJWRWDBZSA-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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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(4-phenylimidazol-1-yl)prop-2-enoate?
The IUPAC name of ethyl (Z)-3-(4-phenylimidazol-1-yl)prop-2-enoate (CID 44590196) is ethyl (Z)-3-(4-phenylimidazol-1-yl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(4-phenylimidazol-1-yl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(4-phenylimidazol-1-yl)prop-2-enoate is CCOC(=O)/C=C\n1cnc(-c2ccccc2)c1.
What is the InChIKey of ethyl (Z)-3-(4-phenylimidazol-1-yl)prop-2-enoate?
The InChIKey is BEKFBSWUSPGORQ-HJWRWDBZSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-2-18-14(17)8-9-16-10-13(15-11-16)12-6-4-3-5-7-12/h3-11H,2H2,1H3/b9-8-.
What are the key properties of ethyl (Z)-3-(4-phenylimidazol-1-yl)prop-2-enoate?
ethyl (Z)-3-(4-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 (Z)-3-(4-phenylimidazol-1-yl)prop-2-enoate is sourced from PubChem (CID 44590196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).