3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one

C13H15NO2 — CID 114736309

IUPAC3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one
SMILESCc1cccc2cc(C(=O)CC(C)N)oc12
InChIInChI=1S/C13H15NO2/c1-8-4-3-5-10-7-12(16-13(8)10)11(15)6-9(2)14/h3-5,7,9H,6,14H2,1-2H3
InChIKeyYVFHOHBVEFZCNF-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.66
Rot. Bonds3

About 3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one

3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one (PubChem CID 114736309) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one.

Molecular Properties

Compound Name3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one
PubChem CID114736309
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one
SMILESCc1cccc2cc(C(=O)CC(C)N)oc12
InChIInChI=1S/C13H15NO2/c1-8-4-3-5-10-7-12(16-13(8)10)11(15)6-9(2)14/h3-5,7,9H,6,14H2,1-2H3
InChIKeyYVFHOHBVEFZCNF-UHFFFAOYSA-N
XLogP2.66
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone
CID 114725200
6-amino-4-ethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-one
CID 114736731
1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440
2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114724990
2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114725058
2-(2-fluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114725093
3-ethoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-one
CID 105132052
N-[(2R)-butan-2-yl]-7-methyl-1-benzofuran-2-carboxamide
CID 99646762
2-amino-1-(7-methyl-1-benzofuran-2-yl)-4-methylsulfonylbutan-1-one
CID 114736219
[4-(aminomethyl)phenyl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 114736158
2-(azetidin-3-yl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114736814
2-cyclohexyl-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 115808413

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one?
The IUPAC name of 3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one (CID 114736309) is 3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one.
What is the SMILES notation for 3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one?
The canonical SMILES for 3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one is Cc1cccc2cc(C(=O)CC(C)N)oc12.
What is the InChIKey of 3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one?
The InChIKey is YVFHOHBVEFZCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8-4-3-5-10-7-12(16-13(8)10)11(15)6-9(2)14/h3-5,7,9H,6,14H2,1-2H3.
What are the key properties of 3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one?
3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one has a molecular weight of 217.27 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one is sourced from PubChem (CID 114736309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).