ethyl 2-cyano-5-phenylpent-4-enoate

C14H15NO2 — CID 72737820

IUPACethyl 2-cyano-5-phenylpent-4-enoate
SMILESCCOC(=O)C(C#N)CC=Cc1ccccc1
InChIInChI=1S/C14H15NO2/c1-2-17-14(16)13(11-15)10-6-9-12-7-4-3-5-8-12/h3-9,13H,2,10H2,1H3
InChIKeyAYOWSNZPRNDACS-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.79
Rot. Bonds5

About ethyl 2-cyano-5-phenylpent-4-enoate

ethyl 2-cyano-5-phenylpent-4-enoate (PubChem CID 72737820) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 2-cyano-5-phenylpent-4-enoate.

Molecular Properties

Compound Nameethyl 2-cyano-5-phenylpent-4-enoate
PubChem CID72737820
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Nameethyl 2-cyano-5-phenylpent-4-enoate
SMILESCCOC(=O)C(C#N)CC=Cc1ccccc1
InChIInChI=1S/C14H15NO2/c1-2-17-14(16)13(11-15)10-6-9-12-7-4-3-5-8-12/h3-9,13H,2,10H2,1H3
InChIKeyAYOWSNZPRNDACS-UHFFFAOYSA-N
XLogP2.79
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-cyano-5-phenylpent-4-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (E)-2-cyano-7-oxo-7-phenylhept-4-enoate
CID 134899560
ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate
CID 102348217
ethyl (E,2S)-2-diethoxyphosphoryl-5-phenylpent-4-enoate
CID 129408619
ethyl 2-hydroxy-6-phenylhex-5-enoate
CID 69249152
ethyl 2-cyano-5-phenylpentanoate
CID 14921743
2-[(Z)-3-phenylprop-2-enyl]propanedinitrile
CID 121008435
diethyl 2-methyl-2-[(E)-3-phenylprop-2-enyl]propanedioate
CID 10957226
ethyl acetate;stilbene
CID 159556390
ethyl carbamate;stilbene
CID 175156091
dipotassium;ethyl 2-cyano-4-oxo-4-phenylbutanoate;carbonate
CID 158712689
ethyl 2-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]acetate
CID 90042137
ethyl 2-amino-3-(3-phenylprop-2-enylsulfanyl)propanoate
CID 77021039

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-5-phenylpent-4-enoate?
The IUPAC name of ethyl 2-cyano-5-phenylpent-4-enoate (CID 72737820) is ethyl 2-cyano-5-phenylpent-4-enoate.
What is the SMILES notation for ethyl 2-cyano-5-phenylpent-4-enoate?
The canonical SMILES for ethyl 2-cyano-5-phenylpent-4-enoate is CCOC(=O)C(C#N)CC=Cc1ccccc1.
What is the InChIKey of ethyl 2-cyano-5-phenylpent-4-enoate?
The InChIKey is AYOWSNZPRNDACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-17-14(16)13(11-15)10-6-9-12-7-4-3-5-8-12/h3-9,13H,2,10H2,1H3.
What are the key properties of ethyl 2-cyano-5-phenylpent-4-enoate?
ethyl 2-cyano-5-phenylpent-4-enoate has a molecular weight of 229.28 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-5-phenylpent-4-enoate is sourced from PubChem (CID 72737820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).