(Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enamide

C11H10N2O2 — CID 720195

IUPAC(Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C(/C#N)C(N)=O)cc1
InChIInChI=1S/C11H10N2O2/c1-15-10-4-2-8(3-5-10)6-9(7-12)11(13)14/h2-6H,1H3,(H2,13,14)/b9-6-
InChIKeySUCNFHGGPRWDID-TWGQIWQCSA-N
MW202.21 g/mol
LogP1.09
Rot. Bonds3

About (Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enamide

(Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 720195) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is (Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID720195
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name(Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C(/C#N)C(N)=O)cc1
InChIInChI=1S/C11H10N2O2/c1-15-10-4-2-8(3-5-10)6-9(7-12)11(13)14/h2-6H,1H3,(H2,13,14)/b9-6-
InChIKeySUCNFHGGPRWDID-TWGQIWQCSA-N
XLogP1.09
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enamide (CID 720195) is (Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C(/C#N)C(N)=O)cc1.
What is the InChIKey of (Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is SUCNFHGGPRWDID-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-15-10-4-2-8(3-5-10)6-9(7-12)11(13)14/h2-6H,1H3,(H2,13,14)/b9-6-.
What are the key properties of (Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enamide?
(Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 202.21 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 720195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).