cyclohexyl (E)-3-(4-cyanophenyl)prop-2-enoate

C16H17NO2 — CID 24554790

IUPACcyclohexyl (E)-3-(4-cyanophenyl)prop-2-enoate
SMILESN#Cc1ccc(/C=C/C(=O)OC2CCCCC2)cc1
InChIInChI=1S/C16H17NO2/c17-12-14-8-6-13(7-9-14)10-11-16(18)19-15-4-2-1-3-5-15/h6-11,15H,1-5H2/b11-10+
InChIKeyDFMUSBPJOASJLG-ZHACJKMWSA-N
MW255.32 g/mol
LogP3.45
Rot. Bonds3

About cyclohexyl (E)-3-(4-cyanophenyl)prop-2-enoate

cyclohexyl (E)-3-(4-cyanophenyl)prop-2-enoate (PubChem CID 24554790) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is cyclohexyl (E)-3-(4-cyanophenyl)prop-2-enoate.

Molecular Properties

Compound Namecyclohexyl (E)-3-(4-cyanophenyl)prop-2-enoate
PubChem CID24554790
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namecyclohexyl (E)-3-(4-cyanophenyl)prop-2-enoate
SMILESN#Cc1ccc(/C=C/C(=O)OC2CCCCC2)cc1
InChIInChI=1S/C16H17NO2/c17-12-14-8-6-13(7-9-14)10-11-16(18)19-15-4-2-1-3-5-15/h6-11,15H,1-5H2/b11-10+
InChIKeyDFMUSBPJOASJLG-ZHACJKMWSA-N
XLogP3.45
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cyclohexyl (E)-3-(4-cyanophenyl)prop-2-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

tert-butyl 3-(4-cyanophenyl)prop-2-enoate
CID 66690910
cyclohexyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 52540229
(4-cyanophenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 4117354
cyclohexyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 75981739
propan-2-yl 3-(4-cyanophenyl)prop-2-enoate
CID 112722924
cyclohexyl (E)-3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate
CID 166880070
(2,5-dioxopyrrolidin-1-yl) (E)-3-(4-cyanophenyl)prop-2-enoate
CID 173062460
4-[(E)-3-oxobut-1-enyl]benzonitrile
CID 11126721
cyclohexyl 2-(4-cyanophenyl)prop-2-enoate
CID 66660518
[4-(4-cyanophenyl)cyclohexyl] but-2-enoate
CID 54231176
4-[(E)-3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxoprop-1-enyl]benzonitrile
CID 9466578
(E)-3-(4-cyanophenyl)-N-(oxan-2-yloxy)prop-2-enamide
CID 170189433

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (E)-3-(4-cyanophenyl)prop-2-enoate?
The IUPAC name of cyclohexyl (E)-3-(4-cyanophenyl)prop-2-enoate (CID 24554790) is cyclohexyl (E)-3-(4-cyanophenyl)prop-2-enoate.
What is the SMILES notation for cyclohexyl (E)-3-(4-cyanophenyl)prop-2-enoate?
The canonical SMILES for cyclohexyl (E)-3-(4-cyanophenyl)prop-2-enoate is N#Cc1ccc(/C=C/C(=O)OC2CCCCC2)cc1.
What is the InChIKey of cyclohexyl (E)-3-(4-cyanophenyl)prop-2-enoate?
The InChIKey is DFMUSBPJOASJLG-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H17NO2/c17-12-14-8-6-13(7-9-14)10-11-16(18)19-15-4-2-1-3-5-15/h6-11,15H,1-5H2/b11-10+.
What are the key properties of cyclohexyl (E)-3-(4-cyanophenyl)prop-2-enoate?
cyclohexyl (E)-3-(4-cyanophenyl)prop-2-enoate has a molecular weight of 255.32 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (E)-3-(4-cyanophenyl)prop-2-enoate is sourced from PubChem (CID 24554790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).