4-amino-4-(1-benzofuran-3-yl)butan-2-one

C12H13NO2 — CID 116940622

IUPAC4-amino-4-(1-benzofuran-3-yl)butan-2-one
SMILESCC(=O)CC(N)c1coc2ccccc12
InChIInChI=1S/C12H13NO2/c1-8(14)6-11(13)10-7-15-12-5-3-2-4-9(10)12/h2-5,7,11H,6,13H2,1H3
InChIKeyRYXRIJATQIOAPS-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.41
Rot. Bonds3

About 4-amino-4-(1-benzofuran-3-yl)butan-2-one

4-amino-4-(1-benzofuran-3-yl)butan-2-one (PubChem CID 116940622) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-amino-4-(1-benzofuran-3-yl)butan-2-one.

Molecular Properties

Compound Name4-amino-4-(1-benzofuran-3-yl)butan-2-one
PubChem CID116940622
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4-amino-4-(1-benzofuran-3-yl)butan-2-one
SMILESCC(=O)CC(N)c1coc2ccccc12
InChIInChI=1S/C12H13NO2/c1-8(14)6-11(13)10-7-15-12-5-3-2-4-9(10)12/h2-5,7,11H,6,13H2,1H3
InChIKeyRYXRIJATQIOAPS-UHFFFAOYSA-N
XLogP2.41
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-1-(1-benzofuran-3-yl)propan-2-one
CID 55273195
(4S)-4-amino-4-(4-aminonaphthalen-1-yl)butan-2-one
CID 67865803
(1S)-1-(1-benzofuran-3-yl)pentan-1-amine
CID 165356907
1-(1-benzofuran-3-yl)-3-methylbutane-1,4-diamine
CID 116934253
2-amino-2-(1-benzofuran-3-yl)-N-methylacetohydrazide
CID 116849007
4-amino-4-(2-chlorophenyl)butan-2-one
CID 134204644
1-(1-benzofuran-3-yl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447303
[1-(1-benzofuran-3-yl)-3-methylbut-3-enyl]hydrazine
CID 105262533
2-amino-3-(1-benzofuran-3-yl)-3-(methylamino)propanoic acid
CID 116957427
1-benzofuran-3-yl(chloro)methanamine
CID 116947842
2-(1-benzofuran-3-yl)propan-1-ol
CID 23614436
1-benzofuran-3-yl(methoxy)methanamine
CID 116947357

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(1-benzofuran-3-yl)butan-2-one?
The IUPAC name of 4-amino-4-(1-benzofuran-3-yl)butan-2-one (CID 116940622) is 4-amino-4-(1-benzofuran-3-yl)butan-2-one.
What is the SMILES notation for 4-amino-4-(1-benzofuran-3-yl)butan-2-one?
The canonical SMILES for 4-amino-4-(1-benzofuran-3-yl)butan-2-one is CC(=O)CC(N)c1coc2ccccc12.
What is the InChIKey of 4-amino-4-(1-benzofuran-3-yl)butan-2-one?
The InChIKey is RYXRIJATQIOAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8(14)6-11(13)10-7-15-12-5-3-2-4-9(10)12/h2-5,7,11H,6,13H2,1H3.
What are the key properties of 4-amino-4-(1-benzofuran-3-yl)butan-2-one?
4-amino-4-(1-benzofuran-3-yl)butan-2-one has a molecular weight of 203.24 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(1-benzofuran-3-yl)butan-2-one is sourced from PubChem (CID 116940622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).