1-(1-benzofuran-3-yl)-2-(dimethylamino)ethanone

C12H13NO2 — CID 43794745

IUPAC1-(1-benzofuran-3-yl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)c1coc2ccccc12
InChIInChI=1S/C12H13NO2/c1-13(2)7-11(14)10-8-15-12-6-4-3-5-9(10)12/h3-6,8H,7H2,1-2H3
InChIKeyLXJXXCSKFNMWEK-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.18
Rot. Bonds3

About 1-(1-benzofuran-3-yl)-2-(dimethylamino)ethanone

1-(1-benzofuran-3-yl)-2-(dimethylamino)ethanone (PubChem CID 43794745) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-(dimethylamino)ethanone
PubChem CID43794745
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-(1-benzofuran-3-yl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)c1coc2ccccc12
InChIInChI=1S/C12H13NO2/c1-13(2)7-11(14)10-8-15-12-6-4-3-5-9(10)12/h3-6,8H,7H2,1-2H3
InChIKeyLXJXXCSKFNMWEK-UHFFFAOYSA-N
XLogP2.18
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-(dimethylamino)ethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-(dimethylamino)ethanone (CID 43794745) is 1-(1-benzofuran-3-yl)-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-(dimethylamino)ethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-(dimethylamino)ethanone is CN(C)CC(=O)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-(dimethylamino)ethanone?
The InChIKey is LXJXXCSKFNMWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-13(2)7-11(14)10-8-15-12-6-4-3-5-9(10)12/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-(1-benzofuran-3-yl)-2-(dimethylamino)ethanone?
1-(1-benzofuran-3-yl)-2-(dimethylamino)ethanone has a molecular weight of 203.24 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-(dimethylamino)ethanone is sourced from PubChem (CID 43794745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).