3-amino-1-(2,3-dihydro-1-benzofuran-6-yl)butan-1-one

C12H15NO2 — CID 130744389

IUPAC3-amino-1-(2,3-dihydro-1-benzofuran-6-yl)butan-1-one
SMILESCC(N)CC(=O)c1ccc2c(c1)OCC2
InChIInChI=1S/C12H15NO2/c1-8(13)6-11(14)10-3-2-9-4-5-15-12(9)7-10/h2-3,7-8H,4-6,13H2,1H3
InChIKeyBMZRKQOEUCTDRG-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.54
Rot. Bonds3

About 3-amino-1-(2,3-dihydro-1-benzofuran-6-yl)butan-1-one

3-amino-1-(2,3-dihydro-1-benzofuran-6-yl)butan-1-one (PubChem CID 130744389) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-amino-1-(2,3-dihydro-1-benzofuran-6-yl)butan-1-one.

Molecular Properties

Compound Name3-amino-1-(2,3-dihydro-1-benzofuran-6-yl)butan-1-one
PubChem CID130744389
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-amino-1-(2,3-dihydro-1-benzofuran-6-yl)butan-1-one
SMILESCC(N)CC(=O)c1ccc2c(c1)OCC2
InChIInChI=1S/C12H15NO2/c1-8(13)6-11(14)10-3-2-9-4-5-15-12(9)7-10/h2-3,7-8H,4-6,13H2,1H3
InChIKeyBMZRKQOEUCTDRG-UHFFFAOYSA-N
XLogP1.54
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one
CID 43160511
tert-butyl 6-(2,3-dihydro-1-benzofuran-6-yl)-6-oxohexanoate
CID 162148051
N-(2-aminopropyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63755933
6-but-1-en-2-yl-2,3-dihydro-1-benzofuran
CID 145466674
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpentan-1-one
CID 114873952
1-(2,3-dihydro-1-benzofuran-6-yl)ethanamine;hydrochloride
CID 91758963
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylheptan-1-one
CID 114963747
6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915592
3-amino-1-(4-methylphenyl)butan-1-one
CID 55254036
4-(2-aminoethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-1-one
CID 116577947
(E)-4-(2,3-dihydro-1-benzofuran-6-yl)-4-oxobut-2-enal
CID 171527809
6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one
CID 116571723

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,3-dihydro-1-benzofuran-6-yl)butan-1-one?
The IUPAC name of 3-amino-1-(2,3-dihydro-1-benzofuran-6-yl)butan-1-one (CID 130744389) is 3-amino-1-(2,3-dihydro-1-benzofuran-6-yl)butan-1-one.
What is the SMILES notation for 3-amino-1-(2,3-dihydro-1-benzofuran-6-yl)butan-1-one?
The canonical SMILES for 3-amino-1-(2,3-dihydro-1-benzofuran-6-yl)butan-1-one is CC(N)CC(=O)c1ccc2c(c1)OCC2.
What is the InChIKey of 3-amino-1-(2,3-dihydro-1-benzofuran-6-yl)butan-1-one?
The InChIKey is BMZRKQOEUCTDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8(13)6-11(14)10-3-2-9-4-5-15-12(9)7-10/h2-3,7-8H,4-6,13H2,1H3.
What are the key properties of 3-amino-1-(2,3-dihydro-1-benzofuran-6-yl)butan-1-one?
3-amino-1-(2,3-dihydro-1-benzofuran-6-yl)butan-1-one has a molecular weight of 205.26 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,3-dihydro-1-benzofuran-6-yl)butan-1-one is sourced from PubChem (CID 130744389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).