(2-ethenylphenyl) 2-cyanoprop-2-enoate

C12H9NO2 — CID 141117758

IUPAC(2-ethenylphenyl) 2-cyanoprop-2-enoate
SMILESC=Cc1ccccc1OC(=O)C(=C)C#N
InChIInChI=1S/C12H9NO2/c1-3-10-6-4-5-7-11(10)15-12(14)9(2)8-13/h3-7H,1-2H2
InChIKeyUWGGYHBJWFXSAM-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.31
Rot. Bonds3

About (2-ethenylphenyl) 2-cyanoprop-2-enoate

(2-ethenylphenyl) 2-cyanoprop-2-enoate (PubChem CID 141117758) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is (2-ethenylphenyl) 2-cyanoprop-2-enoate.

Molecular Properties

Compound Name(2-ethenylphenyl) 2-cyanoprop-2-enoate
PubChem CID141117758
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name(2-ethenylphenyl) 2-cyanoprop-2-enoate
SMILESC=Cc1ccccc1OC(=O)C(=C)C#N
InChIInChI=1S/C12H9NO2/c1-3-10-6-4-5-7-11(10)15-12(14)9(2)8-13/h3-7H,1-2H2
InChIKeyUWGGYHBJWFXSAM-UHFFFAOYSA-N
XLogP2.31
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-ethenylphenyl) 2-methylprop-2-enoate
CID 19607397
benzene;(2-ethenylphenyl) acetate
CID 175577038
(2-ethenylphenyl) 2-(cyclohexylmethyl)prop-2-enoate
CID 142818937
(2-ethenylphenyl) 2-methylidene-4-(oxiran-2-yl)butanoate
CID 142818938
benzoic acid;(4-methylphenyl) 2-cyanoprop-2-enoate
CID 175173275
benzene;1-ethenyl-2-(2-ethenylphenoxy)benzene;phosphoric acid
CID 174842663
2-(2-ethenylphenoxy)-2-methylpropanoic acid
CID 135013356
[4-(trimethylsilylmethyl)phenyl] 2-cyanoprop-2-enoate
CID 18959747
1,2-bis(ethenyl)benzene;methyl 2-methylprop-2-enoate;prop-2-enenitrile;styrene
CID 6454412
1,3,5-triazin-2-yl 2-cyanoprop-2-enoate
CID 67879620
calcium;1,2-bis(ethenyl)benzene;bis(2-methylprop-2-enoate)
CID 161431336
(2-chlorophenyl) (E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoate
CID 19175841

Frequently Asked Questions

What is the IUPAC name of (2-ethenylphenyl) 2-cyanoprop-2-enoate?
The IUPAC name of (2-ethenylphenyl) 2-cyanoprop-2-enoate (CID 141117758) is (2-ethenylphenyl) 2-cyanoprop-2-enoate.
What is the SMILES notation for (2-ethenylphenyl) 2-cyanoprop-2-enoate?
The canonical SMILES for (2-ethenylphenyl) 2-cyanoprop-2-enoate is C=Cc1ccccc1OC(=O)C(=C)C#N.
What is the InChIKey of (2-ethenylphenyl) 2-cyanoprop-2-enoate?
The InChIKey is UWGGYHBJWFXSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c1-3-10-6-4-5-7-11(10)15-12(14)9(2)8-13/h3-7H,1-2H2.
What are the key properties of (2-ethenylphenyl) 2-cyanoprop-2-enoate?
(2-ethenylphenyl) 2-cyanoprop-2-enoate has a molecular weight of 199.21 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenylphenyl) 2-cyanoprop-2-enoate is sourced from PubChem (CID 141117758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).