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

C11H10N2O2 — CID 2057524

IUPAC(Z)-2-cyano-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C(/C#N)C(N)=O)c1
InChIInChI=1S/C11H10N2O2/c1-15-10-4-2-3-8(6-10)5-9(7-12)11(13)14/h2-6H,1H3,(H2,13,14)/b9-5-
InChIKeyCQLYVMVFUXERSA-UITAMQMPSA-N
MW202.21 g/mol
LogP1.09
Rot. Bonds3

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

(Z)-2-cyano-3-(3-methoxyphenyl)prop-2-enamide (PubChem CID 2057524) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is (Z)-2-cyano-3-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(3-methoxyphenyl)prop-2-enamide
PubChem CID2057524
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name(Z)-2-cyano-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C(/C#N)C(N)=O)c1
InChIInChI=1S/C11H10N2O2/c1-15-10-4-2-3-8(6-10)5-9(7-12)11(13)14/h2-6H,1H3,(H2,13,14)/b9-5-
InChIKeyCQLYVMVFUXERSA-UITAMQMPSA-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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Related Compounds

ethyl (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate
CID 5376699
2-cyano-3-(3-phenoxyphenyl)prop-2-enamide
CID 3559677
(E)-3-(3-methoxyphenyl)-2-methylprop-2-enamide
CID 5375231
2-cyano-3-(3-methylphenyl)prop-2-enamide
CID 3601300
(E)-3-(3-methoxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 35550966
(E)-2-cyano-N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide
CID 35746506
decyl 2-cyano-3-(3-methoxyphenyl)prop-2-enoate
CID 67264876
(E)-2-cyano-3-[3-(3,4-dichlorophenoxy)phenyl]prop-2-enamide
CID 155552183
2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enamide
CID 2853976
[2-[di(propan-2-yl)amino]-2-oxoethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate
CID 7537285
(E)-2-cyano-N-(3-iodophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 35559873
(E)-2-cyano-N-(2-fluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 7480752

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(3-methoxyphenyl)prop-2-enamide (CID 2057524) is (Z)-2-cyano-3-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(3-methoxyphenyl)prop-2-enamide is COc1cccc(/C=C(/C#N)C(N)=O)c1.
What is the InChIKey of (Z)-2-cyano-3-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is CQLYVMVFUXERSA-UITAMQMPSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-15-10-4-2-3-8(6-10)5-9(7-12)11(13)14/h2-6H,1H3,(H2,13,14)/b9-5-.
What are the key properties of (Z)-2-cyano-3-(3-methoxyphenyl)prop-2-enamide?
(Z)-2-cyano-3-(3-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-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2057524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).