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

C11H11NO2 — CID 82275110

IUPAC3-amino-1-(1-benzofuran-2-yl)propan-1-one
SMILESNCCC(=O)c1cc2ccccc2o1
InChIInChI=1S/C11H11NO2/c12-6-5-9(13)11-7-8-3-1-2-4-10(8)14-11/h1-4,7H,5-6,12H2
InChIKeyUECUCHMNSAPLIZ-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.96
Rot. Bonds3

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

3-amino-1-(1-benzofuran-2-yl)propan-1-one (PubChem CID 82275110) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-amino-1-(1-benzofuran-2-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(1-benzofuran-2-yl)propan-1-one
PubChem CID82275110
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name3-amino-1-(1-benzofuran-2-yl)propan-1-one
SMILESNCCC(=O)c1cc2ccccc2o1
InChIInChI=1S/C11H11NO2/c12-6-5-9(13)11-7-8-3-1-2-4-10(8)14-11/h1-4,7H,5-6,12H2
InChIKeyUECUCHMNSAPLIZ-UHFFFAOYSA-N
XLogP1.96
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.96
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)-3-(furan-2-yl)propan-1-one
CID 105131499
1-(1-benzofuran-2-yl)-3,3-dimethylbutan-1-one
CID 114725277
1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane
CID 171632781
1-(1-benzofuran-2-yl)pentane-1,3-dione
CID 28896262
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)-3-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 71757920
1-(1-benzofuran-2-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride
CID 14509721
1-(1-benzofuran-2-yl)ethanone
CID 15435
1-(1-benzofuran-2-yl)-2-ethylsulfinylethanone
CID 64639066
1-(1-benzofuran-2-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 62206433

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-benzofuran-2-yl)propan-1-one?
The IUPAC name of 3-amino-1-(1-benzofuran-2-yl)propan-1-one (CID 82275110) is 3-amino-1-(1-benzofuran-2-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(1-benzofuran-2-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(1-benzofuran-2-yl)propan-1-one is NCCC(=O)c1cc2ccccc2o1.
What is the InChIKey of 3-amino-1-(1-benzofuran-2-yl)propan-1-one?
The InChIKey is UECUCHMNSAPLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c12-6-5-9(13)11-7-8-3-1-2-4-10(8)14-11/h1-4,7H,5-6,12H2.
What are the key properties of 3-amino-1-(1-benzofuran-2-yl)propan-1-one?
3-amino-1-(1-benzofuran-2-yl)propan-1-one has a molecular weight of 189.21 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-benzofuran-2-yl)propan-1-one is sourced from PubChem (CID 82275110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).