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

C16H17NO2 — CID 66660518

IUPACcyclohexyl 2-(4-cyanophenyl)prop-2-enoate
SMILESC=C(C(=O)OC1CCCCC1)c1ccc(C#N)cc1
InChIInChI=1S/C16H17NO2/c1-12(14-9-7-13(11-17)8-10-14)16(18)19-15-5-3-2-4-6-15/h7-10,15H,1-6H2
InChIKeyMKWUOCMZWCWLSC-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.45
Rot. Bonds3

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

cyclohexyl 2-(4-cyanophenyl)prop-2-enoate (PubChem CID 66660518) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is cyclohexyl 2-(4-cyanophenyl)prop-2-enoate.

Molecular Properties

Compound Namecyclohexyl 2-(4-cyanophenyl)prop-2-enoate
PubChem CID66660518
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namecyclohexyl 2-(4-cyanophenyl)prop-2-enoate
SMILESC=C(C(=O)OC1CCCCC1)c1ccc(C#N)cc1
InChIInChI=1S/C16H17NO2/c1-12(14-9-7-13(11-17)8-10-14)16(18)19-15-5-3-2-4-6-15/h7-10,15H,1-6H2
InChIKeyMKWUOCMZWCWLSC-UHFFFAOYSA-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 2-(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

cyclododecyl 2-cyanoprop-2-enoate
CID 139637208
bis(cyclohexyl 2-methylprop-2-enoate);terephthalic acid
CID 174502958
cyclohexyl (E)-3-(4-cyanophenyl)prop-2-enoate
CID 24554790
octadecyl 2-(4-cyanophenyl)prop-2-enoate
CID 137370257
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
10-[2,3-bis[10-[2-(4-cyanophenyl)prop-2-enoyloxy]decoxy]propoxy]decyl 2-(4-cyanophenyl)prop-2-enoate
CID 18767125
2-(4-cyanophenyl)-N-cyclohexyl-2-oxoacetamide
CID 24853690
cyclohexyl N-(4-buta-1,3-dien-2-ylphenyl)carbamate
CID 90710466
(4-cyanophenyl) 4-cyclohexylbenzoate
CID 139383045
4-(2-phenylprop-2-enoyl)benzonitrile
CID 66619390
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
(1-methylpiperidin-3-yl) 4-cyanobenzoate
CID 4171248

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(4-cyanophenyl)prop-2-enoate?
The IUPAC name of cyclohexyl 2-(4-cyanophenyl)prop-2-enoate (CID 66660518) is cyclohexyl 2-(4-cyanophenyl)prop-2-enoate.
What is the SMILES notation for cyclohexyl 2-(4-cyanophenyl)prop-2-enoate?
The canonical SMILES for cyclohexyl 2-(4-cyanophenyl)prop-2-enoate is C=C(C(=O)OC1CCCCC1)c1ccc(C#N)cc1.
What is the InChIKey of cyclohexyl 2-(4-cyanophenyl)prop-2-enoate?
The InChIKey is MKWUOCMZWCWLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12(14-9-7-13(11-17)8-10-14)16(18)19-15-5-3-2-4-6-15/h7-10,15H,1-6H2.
What are the key properties of cyclohexyl 2-(4-cyanophenyl)prop-2-enoate?
cyclohexyl 2-(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 2-(4-cyanophenyl)prop-2-enoate is sourced from PubChem (CID 66660518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).