1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane

C13H17NO2 — CID 171632781

IUPAC1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane
SMILESCC.CNCC(=O)c1cc2ccccc2o1
InChIInChI=1S/C11H11NO2.C2H6/c1-12-7-9(13)11-6-8-4-2-3-5-10(8)14-11;1-2/h2-6,12H,7H2,1H3;1-2H3
InChIKeyVHXGBTSRGYFRFW-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.86
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane

1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane (PubChem CID 171632781) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane
PubChem CID171632781
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane
SMILESCC.CNCC(=O)c1cc2ccccc2o1
InChIInChI=1S/C11H11NO2.C2H6/c1-12-7-9(13)11-6-8-4-2-3-5-10(8)14-11;1-2/h2-6,12H,7H2,1H3;1-2H3
InChIKeyVHXGBTSRGYFRFW-UHFFFAOYSA-N
XLogP2.86
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-3-(methylamino)propan-1-one
CID 114736388
1-(1-benzofuran-2-yl)-2-(prop-2-ynylamino)ethanone
CID 114736946
1-(1-benzofuran-2-yl)pentane-1,3-dione
CID 28896262
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
1-(1-benzofuran-2-yl)-3,3-dimethylbutan-1-one
CID 114725277
1-(1-benzofuran-2-yl)ethanone
CID 15435
1-(1-benzofuran-2-yl)-2-ethoxyethanone
CID 43799572
1-(1-benzofuran-2-yl)-3-pyrimidin-2-ylpropane-1,3-dione
CID 114552679
1-(1-benzofuran-2-yl)-2-(3,4-dichloroanilino)ethanone
CID 110824293
1-(1-benzofuran-2-yl)-2-ethylsulfinylethanone
CID 64639066
1-(1-benzofuran-2-yl)-3,5-dimethylhexan-1-one
CID 114200671
1-(1-benzofuran-2-yl)-2-propan-2-ylsulfonylethanone
CID 64636555

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane (CID 171632781) is 1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane is CC.CNCC(=O)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane?
The InChIKey is VHXGBTSRGYFRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2.C2H6/c1-12-7-9(13)11-6-8-4-2-3-5-10(8)14-11;1-2/h2-6,12H,7H2,1H3;1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane?
1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane has a molecular weight of 219.28 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane is sourced from PubChem (CID 171632781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).