1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone

C11H13NO2 — CID 96750554

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cccc2c1OCC2
InChIInChI=1S/C11H13NO2/c1-12-7-10(13)9-4-2-3-8-5-6-14-11(8)9/h2-4,12H,5-7H2,1H3
InChIKeyLBKBESFELJSIFO-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.02
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone

1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone (PubChem CID 96750554) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone
PubChem CID96750554
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cccc2c1OCC2
InChIInChI=1S/C11H13NO2/c1-12-7-10(13)9-4-2-3-8-5-6-14-11(8)9/h2-4,12H,5-7H2,1H3
InChIKeyLBKBESFELJSIFO-UHFFFAOYSA-N
XLogP1.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone (CID 96750554) is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone is CNCC(=O)c1cccc2c1OCC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone?
The InChIKey is LBKBESFELJSIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-12-7-10(13)9-4-2-3-8-5-6-14-11(8)9/h2-4,12H,5-7H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone?
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone has a molecular weight of 191.23 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 96750554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).