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

C11H11NO2 — CID 55273195

IUPAC1-amino-1-(1-benzofuran-3-yl)propan-2-one
SMILESCC(=O)C(N)c1coc2ccccc12
InChIInChI=1S/C11H11NO2/c1-7(13)11(12)9-6-14-10-5-3-2-4-8(9)10/h2-6,11H,12H2,1H3
InChIKeyJKQOTYNBALXCCY-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.02
Rot. Bonds2

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

1-amino-1-(1-benzofuran-3-yl)propan-2-one (PubChem CID 55273195) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-amino-1-(1-benzofuran-3-yl)propan-2-one.

Molecular Properties

Compound Name1-amino-1-(1-benzofuran-3-yl)propan-2-one
PubChem CID55273195
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-amino-1-(1-benzofuran-3-yl)propan-2-one
SMILESCC(=O)C(N)c1coc2ccccc12
InChIInChI=1S/C11H11NO2/c1-7(13)11(12)9-6-14-10-5-3-2-4-8(9)10/h2-6,11H,12H2,1H3
InChIKeyJKQOTYNBALXCCY-UHFFFAOYSA-N
XLogP2.02
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(1-benzofuran-3-yl)-N-methylacetohydrazide
CID 116849007
4-amino-4-(1-benzofuran-3-yl)butan-2-one
CID 116940622
2-amino-3-(1-benzofuran-3-yl)-3-(methylamino)propanoic acid
CID 116957427
1-benzofuran-3-yl(chloro)methanamine
CID 116947842
1-benzofuran-3-yl(methoxy)methanamine
CID 116947357
1-[amino(1-benzofuran-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 116943154
methyl 1-[amino(1-benzofuran-3-yl)methyl]cyclopropane-1-carboxylate
CID 116944424
2-(1-benzofuran-3-yl)propan-1-ol
CID 23614436
[(R)-1-benzofuran-3-yl(phenyl)methyl]urea
CID 871475
1-amino-1-(2-bromophenyl)propan-2-one
CID 116859743
(1S)-1-(1-benzofuran-3-yl)pentan-1-amine
CID 165356907
1-benzofuran-3-yl acetate
CID 2769621

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(1-benzofuran-3-yl)propan-2-one?
The IUPAC name of 1-amino-1-(1-benzofuran-3-yl)propan-2-one (CID 55273195) is 1-amino-1-(1-benzofuran-3-yl)propan-2-one.
What is the SMILES notation for 1-amino-1-(1-benzofuran-3-yl)propan-2-one?
The canonical SMILES for 1-amino-1-(1-benzofuran-3-yl)propan-2-one is CC(=O)C(N)c1coc2ccccc12.
What is the InChIKey of 1-amino-1-(1-benzofuran-3-yl)propan-2-one?
The InChIKey is JKQOTYNBALXCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7(13)11(12)9-6-14-10-5-3-2-4-8(9)10/h2-6,11H,12H2,1H3.
What are the key properties of 1-amino-1-(1-benzofuran-3-yl)propan-2-one?
1-amino-1-(1-benzofuran-3-yl)propan-2-one has a molecular weight of 189.21 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(1-benzofuran-3-yl)propan-2-one is sourced from PubChem (CID 55273195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).