(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-enamide

C12H13NO2 — CID 60714179

IUPAC(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1ccc2c(c1)CCO2
InChIInChI=1S/C12H13NO2/c1-13-12(14)5-3-9-2-4-11-10(8-9)6-7-15-11/h2-5,8H,6-7H2,1H3,(H,13,14)/b5-3+
InChIKeyPRUONTKFKMGFKA-HWKANZROSA-N
MW203.24 g/mol
LogP1.38
Rot. Bonds2

About (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-enamide

(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-enamide (PubChem CID 60714179) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-enamide
PubChem CID60714179
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1ccc2c(c1)CCO2
InChIInChI=1S/C12H13NO2/c1-13-12(14)5-3-9-2-4-11-10(8-9)6-7-15-11/h2-5,8H,6-7H2,1H3,(H,13,14)/b5-3+
InChIKeyPRUONTKFKMGFKA-HWKANZROSA-N
XLogP1.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-enamide (CID 60714179) is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-enamide is CNC(=O)/C=C/c1ccc2c(c1)CCO2.
What is the InChIKey of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-enamide?
The InChIKey is PRUONTKFKMGFKA-HWKANZROSA-N. The full InChI is InChI=1S/C12H13NO2/c1-13-12(14)5-3-9-2-4-11-10(8-9)6-7-15-11/h2-5,8H,6-7H2,1H3,(H,13,14)/b5-3+.
What are the key properties of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-enamide?
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-enamide has a molecular weight of 203.24 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 60714179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).