1-(1-benzofuran-2-yl)-3-(methylamino)propan-1-one

C12H13NO2 — CID 114736388

IUPAC1-(1-benzofuran-2-yl)-3-(methylamino)propan-1-one
SMILESCNCCC(=O)c1cc2ccccc2o1
InChIInChI=1S/C12H13NO2/c1-13-7-6-10(14)12-8-9-4-2-3-5-11(9)15-12/h2-5,8,13H,6-7H2,1H3
InChIKeyLWCJKDKCQLVJDS-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.22
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-3-(methylamino)propan-1-one

1-(1-benzofuran-2-yl)-3-(methylamino)propan-1-one (PubChem CID 114736388) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-3-(methylamino)propan-1-one
PubChem CID114736388
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-(1-benzofuran-2-yl)-3-(methylamino)propan-1-one
SMILESCNCCC(=O)c1cc2ccccc2o1
InChIInChI=1S/C12H13NO2/c1-13-7-6-10(14)12-8-9-4-2-3-5-11(9)15-12/h2-5,8,13H,6-7H2,1H3
InChIKeyLWCJKDKCQLVJDS-UHFFFAOYSA-N
XLogP2.22
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane
CID 171632781
3-amino-1-(1-benzofuran-2-yl)propan-1-one
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1-(1-benzofuran-2-yl)pentane-1,3-dione
CID 28896262
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-(prop-2-ynylamino)ethanone
CID 114736946
1-(1-benzofuran-2-yl)-3-(furan-2-yl)propan-1-one
CID 105131499
1-(1-benzofuran-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 71757920
1-(1-benzofuran-2-yl)-3-[(2-hydroxy-3-phenoxypropyl)amino]propan-1-one
CID 110177515
1-(1-benzofuran-2-yl)-2-ethylsulfinylethanone
CID 64639066

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-3-(methylamino)propan-1-one?
The IUPAC name of 1-(1-benzofuran-2-yl)-3-(methylamino)propan-1-one (CID 114736388) is 1-(1-benzofuran-2-yl)-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(1-benzofuran-2-yl)-3-(methylamino)propan-1-one is CNCCC(=O)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-3-(methylamino)propan-1-one?
The InChIKey is LWCJKDKCQLVJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-13-7-6-10(14)12-8-9-4-2-3-5-11(9)15-12/h2-5,8,13H,6-7H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-3-(methylamino)propan-1-one?
1-(1-benzofuran-2-yl)-3-(methylamino)propan-1-one has a molecular weight of 203.24 g/mol, XLogP of 2.22, 4 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)-3-(methylamino)propan-1-one is sourced from PubChem (CID 114736388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).