(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide

C13H13NO2 — CID 47120041

IUPAC(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
SMILESCCc1oc2ccccc2c1/C=C/C(N)=O
InChIInChI=1S/C13H13NO2/c1-2-11-10(7-8-13(14)15)9-5-3-4-6-12(9)16-11/h3-8H,2H2,1H3,(H2,14,15)/b8-7+
InChIKeyAICBOVONJFXVKO-BQYQJAHWSA-N
MW215.25 g/mol
LogP2.49
Rot. Bonds3

About (E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide

(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide (PubChem CID 47120041) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is (E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
PubChem CID47120041
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
SMILESCCc1oc2ccccc2c1/C=C/C(N)=O
InChIInChI=1S/C13H13NO2/c1-2-11-10(7-8-13(14)15)9-5-3-4-6-12(9)16-11/h3-8H,2H2,1H3,(H2,14,15)/b8-7+
InChIKeyAICBOVONJFXVKO-BQYQJAHWSA-N
XLogP2.49
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.49
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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Related Compounds

(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-propylprop-2-enamide
CID 46532048
2-[1-[(Z)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]piperidin-4-yl]acetamide
CID 94215468
(E)-N-(4-acetamidophenyl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
CID 26273248
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 78823120
methyl (2S)-2-[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]amino]-3-hydroxypropanoate
CID 9085116
(E)-N,N-bis(2-cyanoethyl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
CID 51250724
methyl N-[4-[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]amino]phenyl]carbamate
CID 55804926
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)prop-2-enamide
CID 26687668
N'-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-4-fluorobenzohydrazide
CID 8870811
1-[3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]piperidine-4-carboxylic acid
CID 126771759
2-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]guanidine
CID 8825933
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide
CID 94131112

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide (CID 47120041) is (E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide is CCc1oc2ccccc2c1/C=C/C(N)=O.
What is the InChIKey of (E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide?
The InChIKey is AICBOVONJFXVKO-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-11-10(7-8-13(14)15)9-5-3-4-6-12(9)16-11/h3-8H,2H2,1H3,(H2,14,15)/b8-7+.
What are the key properties of (E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide?
(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide has a molecular weight of 215.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide is sourced from PubChem (CID 47120041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).