2-cyano-3-(5,6-dimethyl-1-benzofuran-2-yl)-N-methylprop-2-enamide

C15H14N2O2 — CID 71977104

IUPAC2-cyano-3-(5,6-dimethyl-1-benzofuran-2-yl)-N-methylprop-2-enamide
SMILESCNC(=O)C(C#N)=Cc1cc2cc(C)c(C)cc2o1
InChIInChI=1S/C15H14N2O2/c1-9-4-11-6-13(19-14(11)5-10(9)2)7-12(8-16)15(18)17-3/h4-7H,1-3H3,(H,17,18)
InChIKeyLZOIGUCMEIOOBT-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.70
Rot. Bonds2

About 2-cyano-3-(5,6-dimethyl-1-benzofuran-2-yl)-N-methylprop-2-enamide

2-cyano-3-(5,6-dimethyl-1-benzofuran-2-yl)-N-methylprop-2-enamide (PubChem CID 71977104) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-cyano-3-(5,6-dimethyl-1-benzofuran-2-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(5,6-dimethyl-1-benzofuran-2-yl)-N-methylprop-2-enamide
PubChem CID71977104
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-cyano-3-(5,6-dimethyl-1-benzofuran-2-yl)-N-methylprop-2-enamide
SMILESCNC(=O)C(C#N)=Cc1cc2cc(C)c(C)cc2o1
InChIInChI=1S/C15H14N2O2/c1-9-4-11-6-13(19-14(11)5-10(9)2)7-12(8-16)15(18)17-3/h4-7H,1-3H3,(H,17,18)
InChIKeyLZOIGUCMEIOOBT-UHFFFAOYSA-N
XLogP2.70
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.70
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'}

Analyze 2-cyano-3-(5,6-dimethyl-1-benzofuran-2-yl)-N-methylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyano-3-[5-(3,4-dimethyl-5-nitrophenyl)furan-2-yl]-N-methylprop-2-enamide
CID 958116
(E)-3-(1-benzofuran-2-yl)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 24582628
(Z)-2-cyano-N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 17373303
(E)-2-cyano-N-methyl-3-(5-phenylsulfanylfuran-2-yl)prop-2-enamide
CID 878990
2-[(4,5-dimethylfuran-2-yl)methylidene]-3-oxobutanenitrile
CID 3456444
(Z)-2-cyano-N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 19183490
(E)-3-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]-2-cyano-N-methylprop-2-enamide
CID 1244611
(Z)-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]-N-methylprop-2-enamide
CID 126025634
(E)-2-cyano-N-methyl-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide
CID 782493
(E)-3-(1-benzofuran-2-yl)-2-cyano-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 24582653
methyl 4-[5-[2-cyano-3-(methylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoate
CID 782487
(Z)-2-cyano-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 27493123

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(5,6-dimethyl-1-benzofuran-2-yl)-N-methylprop-2-enamide?
The IUPAC name of 2-cyano-3-(5,6-dimethyl-1-benzofuran-2-yl)-N-methylprop-2-enamide (CID 71977104) is 2-cyano-3-(5,6-dimethyl-1-benzofuran-2-yl)-N-methylprop-2-enamide.
What is the SMILES notation for 2-cyano-3-(5,6-dimethyl-1-benzofuran-2-yl)-N-methylprop-2-enamide?
The canonical SMILES for 2-cyano-3-(5,6-dimethyl-1-benzofuran-2-yl)-N-methylprop-2-enamide is CNC(=O)C(C#N)=Cc1cc2cc(C)c(C)cc2o1.
What is the InChIKey of 2-cyano-3-(5,6-dimethyl-1-benzofuran-2-yl)-N-methylprop-2-enamide?
The InChIKey is LZOIGUCMEIOOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-9-4-11-6-13(19-14(11)5-10(9)2)7-12(8-16)15(18)17-3/h4-7H,1-3H3,(H,17,18).
What are the key properties of 2-cyano-3-(5,6-dimethyl-1-benzofuran-2-yl)-N-methylprop-2-enamide?
2-cyano-3-(5,6-dimethyl-1-benzofuran-2-yl)-N-methylprop-2-enamide has a molecular weight of 254.29 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(5,6-dimethyl-1-benzofuran-2-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 71977104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).