6-(1-aminopropan-2-yloxy)-1-benzofuran-3-one

C11H13NO3 — CID 82507298

IUPAC6-(1-aminopropan-2-yloxy)-1-benzofuran-3-one
SMILESCC(CN)Oc1ccc2c(c1)OCC2=O
InChIInChI=1S/C11H13NO3/c1-7(5-12)15-8-2-3-9-10(13)6-14-11(9)4-8/h2-4,7H,5-6,12H2,1H3
InChIKeyBOYGHXQDCMNJEF-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.99
Rot. Bonds3

About 6-(1-aminopropan-2-yloxy)-1-benzofuran-3-one

6-(1-aminopropan-2-yloxy)-1-benzofuran-3-one (PubChem CID 82507298) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 6-(1-aminopropan-2-yloxy)-1-benzofuran-3-one.

Molecular Properties

Compound Name6-(1-aminopropan-2-yloxy)-1-benzofuran-3-one
PubChem CID82507298
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name6-(1-aminopropan-2-yloxy)-1-benzofuran-3-one
SMILESCC(CN)Oc1ccc2c(c1)OCC2=O
InChIInChI=1S/C11H13NO3/c1-7(5-12)15-8-2-3-9-10(13)6-14-11(9)4-8/h2-4,7H,5-6,12H2,1H3
InChIKeyBOYGHXQDCMNJEF-UHFFFAOYSA-N
XLogP0.99
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[(3-oxo-1-benzofuran-6-yl)oxy]butanoic acid
CID 103547942
6-(3-oxobutan-2-yloxy)-1-benzofuran-3-one
CID 62033452
2-[(3-oxo-1-benzofuran-6-yl)oxy]butanamide
CID 63095013
N,N-dimethyl-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide
CID 63094838
ethyl 2-fluoro-2-[(3-oxo-1-benzofuran-6-yl)oxy]acetate
CID 79357419
6-(3-methyl-2-oxobutoxy)-1-benzofuran-3-one
CID 79395503
6-methoxy-1-benzofuran-3-one
CID 585368
2-(1,3-benzodioxol-5-yloxy)propan-1-amine
CID 22688832
2-[(3-oxo-1-benzofuran-6-yl)oxy]butanenitrile
CID 63097294
N-(2-methylpropyl)-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide
CID 63095016
2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide
CID 60772542
2-[(3-oxo-1-benzofuran-6-yl)oxy]-N-propan-2-ylacetamide
CID 60772248

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminopropan-2-yloxy)-1-benzofuran-3-one?
The IUPAC name of 6-(1-aminopropan-2-yloxy)-1-benzofuran-3-one (CID 82507298) is 6-(1-aminopropan-2-yloxy)-1-benzofuran-3-one.
What is the SMILES notation for 6-(1-aminopropan-2-yloxy)-1-benzofuran-3-one?
The canonical SMILES for 6-(1-aminopropan-2-yloxy)-1-benzofuran-3-one is CC(CN)Oc1ccc2c(c1)OCC2=O.
What is the InChIKey of 6-(1-aminopropan-2-yloxy)-1-benzofuran-3-one?
The InChIKey is BOYGHXQDCMNJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7(5-12)15-8-2-3-9-10(13)6-14-11(9)4-8/h2-4,7H,5-6,12H2,1H3.
What are the key properties of 6-(1-aminopropan-2-yloxy)-1-benzofuran-3-one?
6-(1-aminopropan-2-yloxy)-1-benzofuran-3-one has a molecular weight of 207.23 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminopropan-2-yloxy)-1-benzofuran-3-one is sourced from PubChem (CID 82507298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).