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

C12H13NO2 — CID 116915418

IUPAC2-amino-1-(1-benzofuran-3-yl)-2-methylpropan-1-one
SMILESCC(C)(N)C(=O)c1coc2ccccc12
InChIInChI=1S/C12H13NO2/c1-12(2,13)11(14)9-7-15-10-6-4-3-5-8(9)10/h3-7H,13H2,1-2H3
InChIKeyNJWGWPCYVGUDES-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.35
Rot. Bonds2

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

2-amino-1-(1-benzofuran-3-yl)-2-methylpropan-1-one (PubChem CID 116915418) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-amino-1-(1-benzofuran-3-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(1-benzofuran-3-yl)-2-methylpropan-1-one
PubChem CID116915418
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-amino-1-(1-benzofuran-3-yl)-2-methylpropan-1-one
SMILESCC(C)(N)C(=O)c1coc2ccccc12
InChIInChI=1S/C12H13NO2/c1-12(2,13)11(14)9-7-15-10-6-4-3-5-8(9)10/h3-7H,13H2,1-2H3
InChIKeyNJWGWPCYVGUDES-UHFFFAOYSA-N
XLogP2.35
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one
CID 83697645
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tert-butyl 2-amino-4-(1-benzofuran-3-yl)-4-oxobutanoate
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tert-butyl 3-(1-benzofuran-3-yl)-3-oxopropanoate
CID 22925275
CID 89242212
CID 89242212
1-(1-benzofuran-3-yl)-2-chloroethanone
CID 77174807
(Z)-1-(1-benzofuran-3-yl)ethylidenehydrazine
CID 23219956
(2S)-2-amino-3-(1-benzofuran-3-yl)-2-methylpropanoic acid
CID 121229043
N',N'-dimethyl-1-benzofuran-3-carbohydrazide
CID 116848024
1-benzofuran-3-yl-(1-methylcyclopropyl)methanone
CID 164656337
N-(1-amino-4,4-dimethylpentan-3-yl)-1-benzofuran-3-carboxamide
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4-amino-1-(1-benzofuran-3-yl)-3-methylbutan-1-one
CID 116916164

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-benzofuran-3-yl)-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-(1-benzofuran-3-yl)-2-methylpropan-1-one (CID 116915418) is 2-amino-1-(1-benzofuran-3-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-(1-benzofuran-3-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-(1-benzofuran-3-yl)-2-methylpropan-1-one is CC(C)(N)C(=O)c1coc2ccccc12.
What is the InChIKey of 2-amino-1-(1-benzofuran-3-yl)-2-methylpropan-1-one?
The InChIKey is NJWGWPCYVGUDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-12(2,13)11(14)9-7-15-10-6-4-3-5-8(9)10/h3-7H,13H2,1-2H3.
What are the key properties of 2-amino-1-(1-benzofuran-3-yl)-2-methylpropan-1-one?
2-amino-1-(1-benzofuran-3-yl)-2-methylpropan-1-one has a molecular weight of 203.24 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-benzofuran-3-yl)-2-methylpropan-1-one is sourced from PubChem (CID 116915418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).