3-amino-1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)propan-1-one

C11H13NO3 — CID 117295672

IUPAC3-amino-1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)propan-1-one
SMILESNCCC(=O)c1c(O)ccc2c1COC2
InChIInChI=1S/C11H13NO3/c12-4-3-10(14)11-8-6-15-5-7(8)1-2-9(11)13/h1-2,13H,3-6,12H2
InChIKeyGXJGUQOQTATNCK-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.95
Rot. Bonds3

About 3-amino-1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)propan-1-one

3-amino-1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)propan-1-one (PubChem CID 117295672) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-amino-1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)propan-1-one
PubChem CID117295672
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name3-amino-1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)propan-1-one
SMILESNCCC(=O)c1c(O)ccc2c1COC2
InChIInChI=1S/C11H13NO3/c12-4-3-10(14)11-8-6-15-5-7(8)1-2-9(11)13/h1-2,13H,3-6,12H2
InChIKeyGXJGUQOQTATNCK-UHFFFAOYSA-N
XLogP0.95
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)propan-1-one?
The IUPAC name of 3-amino-1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)propan-1-one (CID 117295672) is 3-amino-1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)propan-1-one is NCCC(=O)c1c(O)ccc2c1COC2.
What is the InChIKey of 3-amino-1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)propan-1-one?
The InChIKey is GXJGUQOQTATNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c12-4-3-10(14)11-8-6-15-5-7(8)1-2-9(11)13/h1-2,13H,3-6,12H2.
What are the key properties of 3-amino-1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)propan-1-one?
3-amino-1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)propan-1-one has a molecular weight of 207.23 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)propan-1-one is sourced from PubChem (CID 117295672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).