(Z)-2-cyano-3-(4-methoxyphenyl)-N,N-dimethylprop-2-enamide

C13H14N2O2 — CID 5375025

IUPAC(Z)-2-cyano-3-(4-methoxyphenyl)-N,N-dimethylprop-2-enamide
SMILESCOc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1
InChIInChI=1S/C13H14N2O2/c1-15(2)13(16)11(9-14)8-10-4-6-12(17-3)7-5-10/h4-8H,1-3H3/b11-8-
InChIKeyNJXHBDGOJIMVNQ-FLIBITNWSA-N
MW230.27 g/mol
LogP1.69
Rot. Bonds3

About (Z)-2-cyano-3-(4-methoxyphenyl)-N,N-dimethylprop-2-enamide

(Z)-2-cyano-3-(4-methoxyphenyl)-N,N-dimethylprop-2-enamide (PubChem CID 5375025) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (Z)-2-cyano-3-(4-methoxyphenyl)-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(4-methoxyphenyl)-N,N-dimethylprop-2-enamide
PubChem CID5375025
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(Z)-2-cyano-3-(4-methoxyphenyl)-N,N-dimethylprop-2-enamide
SMILESCOc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1
InChIInChI=1S/C13H14N2O2/c1-15(2)13(16)11(9-14)8-10-4-6-12(17-3)7-5-10/h4-8H,1-3H3/b11-8-
InChIKeyNJXHBDGOJIMVNQ-FLIBITNWSA-N
XLogP1.69
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.69
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'}

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Related Compounds

2-cyano-N,N-dimethyl-3-phenylprop-2-enamide
CID 71357997
(2Z)-2-[(4-methoxyphenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
CID 2324707
(E)-2-cyano-N-(dimethylaminomethylidene)-3-(4-methoxyphenyl)prop-2-enamide
CID 7039959
(E)-2-cyano-N,N-dimethyl-3-(4-phenylphenyl)prop-2-enamide
CID 132546388
(2E)-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-oxopentanenitrile
CID 47241601
(Z)-2-cyano-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 19183442
(E)-3-[4-(dimethylamino)phenyl]-2-(4-methoxybenzoyl)prop-2-enenitrile
CID 8685083
(E)-2-(dimethylamino)-3-(4-methoxyphenyl)prop-2-enenitrile
CID 11816521
2-[(4-hydroxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylidene]butanedinitrile
CID 85101046
(E)-2-cyano-3-(4-methoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 6034042
(E)-2-cyano-N,N-dimethyl-3-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yloxy)phenyl]prop-2-enamide
CID 71014265
4-[(E)-2-cyano-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoate
CID 8828787

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(4-methoxyphenyl)-N,N-dimethylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(4-methoxyphenyl)-N,N-dimethylprop-2-enamide (CID 5375025) is (Z)-2-cyano-3-(4-methoxyphenyl)-N,N-dimethylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(4-methoxyphenyl)-N,N-dimethylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(4-methoxyphenyl)-N,N-dimethylprop-2-enamide is COc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1.
What is the InChIKey of (Z)-2-cyano-3-(4-methoxyphenyl)-N,N-dimethylprop-2-enamide?
The InChIKey is NJXHBDGOJIMVNQ-FLIBITNWSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-15(2)13(16)11(9-14)8-10-4-6-12(17-3)7-5-10/h4-8H,1-3H3/b11-8-.
What are the key properties of (Z)-2-cyano-3-(4-methoxyphenyl)-N,N-dimethylprop-2-enamide?
(Z)-2-cyano-3-(4-methoxyphenyl)-N,N-dimethylprop-2-enamide has a molecular weight of 230.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(4-methoxyphenyl)-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 5375025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).