(Z)-2-cyano-3-(2-hydroxy-3-prop-2-enylphenyl)prop-2-enamide

C13H12N2O2 — CID 7157733

IUPAC(Z)-2-cyano-3-(2-hydroxy-3-prop-2-enylphenyl)prop-2-enamide
SMILESC=CCc1cccc(/C=C(/C#N)C(N)=O)c1O
InChIInChI=1S/C13H12N2O2/c1-2-4-9-5-3-6-10(12(9)16)7-11(8-14)13(15)17/h2-3,5-7,16H,1,4H2,(H2,15,17)/b11-7-
InChIKeyRHFVQVDXWIVZHI-XFFZJAGNSA-N
MW228.25 g/mol
LogP1.51
Rot. Bonds4

About (Z)-2-cyano-3-(2-hydroxy-3-prop-2-enylphenyl)prop-2-enamide

(Z)-2-cyano-3-(2-hydroxy-3-prop-2-enylphenyl)prop-2-enamide (PubChem CID 7157733) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is (Z)-2-cyano-3-(2-hydroxy-3-prop-2-enylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(2-hydroxy-3-prop-2-enylphenyl)prop-2-enamide
PubChem CID7157733
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name(Z)-2-cyano-3-(2-hydroxy-3-prop-2-enylphenyl)prop-2-enamide
SMILESC=CCc1cccc(/C=C(/C#N)C(N)=O)c1O
InChIInChI=1S/C13H12N2O2/c1-2-4-9-5-3-6-10(12(9)16)7-11(8-14)13(15)17/h2-3,5-7,16H,1,4H2,(H2,15,17)/b11-7-
InChIKeyRHFVQVDXWIVZHI-XFFZJAGNSA-N
XLogP1.51
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(2-hydroxy-3-prop-2-enylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(2-hydroxy-3-prop-2-enylphenyl)prop-2-enamide (CID 7157733) is (Z)-2-cyano-3-(2-hydroxy-3-prop-2-enylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(2-hydroxy-3-prop-2-enylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(2-hydroxy-3-prop-2-enylphenyl)prop-2-enamide is C=CCc1cccc(/C=C(/C#N)C(N)=O)c1O.
What is the InChIKey of (Z)-2-cyano-3-(2-hydroxy-3-prop-2-enylphenyl)prop-2-enamide?
The InChIKey is RHFVQVDXWIVZHI-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-2-4-9-5-3-6-10(12(9)16)7-11(8-14)13(15)17/h2-3,5-7,16H,1,4H2,(H2,15,17)/b11-7-.
What are the key properties of (Z)-2-cyano-3-(2-hydroxy-3-prop-2-enylphenyl)prop-2-enamide?
(Z)-2-cyano-3-(2-hydroxy-3-prop-2-enylphenyl)prop-2-enamide has a molecular weight of 228.25 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(2-hydroxy-3-prop-2-enylphenyl)prop-2-enamide is sourced from PubChem (CID 7157733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).