(2-cyano-2-phenylethyl) prop-2-enoate

C12H11NO2 — CID 67546992

IUPAC(2-cyano-2-phenylethyl) prop-2-enoate
SMILESC=CC(=O)OCC(C#N)c1ccccc1
InChIInChI=1S/C12H11NO2/c1-2-12(14)15-9-11(8-13)10-6-4-3-5-7-10/h2-7,11H,1,9H2
InChIKeyUZQZYHZIVCEEQL-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.02
Rot. Bonds4

About (2-cyano-2-phenylethyl) prop-2-enoate

(2-cyano-2-phenylethyl) prop-2-enoate (PubChem CID 67546992) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is (2-cyano-2-phenylethyl) prop-2-enoate.

Molecular Properties

Compound Name(2-cyano-2-phenylethyl) prop-2-enoate
PubChem CID67546992
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name(2-cyano-2-phenylethyl) prop-2-enoate
SMILESC=CC(=O)OCC(C#N)c1ccccc1
InChIInChI=1S/C12H11NO2/c1-2-12(14)15-9-11(8-13)10-6-4-3-5-7-10/h2-7,11H,1,9H2
InChIKeyUZQZYHZIVCEEQL-UHFFFAOYSA-N
XLogP2.02
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-diphenylethyl prop-2-enoate;prop-2-enoxymethyl prop-2-enoate
CID 175934339
(2-phenyl-2-prop-2-enylperoxyethyl) prop-2-enoate
CID 58091840
potassium (3S)-3-cyano-3-phenylpropanoate
CID 44817960
[2-phenyl-2-(4-phenylphenoxy)ethyl] prop-2-enoate
CID 150733886
(2-amino-3-phenoxypropyl) prop-2-enoate
CID 69463364
(Z)-but-2-enedioic acid;2-hydroxypropyl prop-2-enoate;styrene
CID 159660578
3-hydroxy-2-phenylpropanenitrile
CID 11008065
[(1R)-1-phenylbut-3-enyl] prop-2-enoate
CID 11195026
chloro 4-cyano-4-phenylbutanoate
CID 174411530
(2-ethenoxy-1-phenylethyl) prop-2-enoate
CID 150761582
dimethyl-(1-phenylethyl)-(2-prop-2-enoyloxyethyl)azanium
CID 23288489
3-benzhydrylsulfonylpropyl prop-2-enoate
CID 175221844

Frequently Asked Questions

What is the IUPAC name of (2-cyano-2-phenylethyl) prop-2-enoate?
The IUPAC name of (2-cyano-2-phenylethyl) prop-2-enoate (CID 67546992) is (2-cyano-2-phenylethyl) prop-2-enoate.
What is the SMILES notation for (2-cyano-2-phenylethyl) prop-2-enoate?
The canonical SMILES for (2-cyano-2-phenylethyl) prop-2-enoate is C=CC(=O)OCC(C#N)c1ccccc1.
What is the InChIKey of (2-cyano-2-phenylethyl) prop-2-enoate?
The InChIKey is UZQZYHZIVCEEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-2-12(14)15-9-11(8-13)10-6-4-3-5-7-10/h2-7,11H,1,9H2.
What are the key properties of (2-cyano-2-phenylethyl) prop-2-enoate?
(2-cyano-2-phenylethyl) prop-2-enoate has a molecular weight of 201.22 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyano-2-phenylethyl) prop-2-enoate is sourced from PubChem (CID 67546992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).