(3S)-3-amino-3H-2-benzofuran-1-one

C8H7NO2 — CID 163831945

IUPAC(3S)-3-amino-3H-2-benzofuran-1-one
SMILESN[C@H]1OC(=O)c2ccccc21
InChIInChI=1S/C8H7NO2/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7H,9H2/t7-/m0/s1
InChIKeyOEIOKPQWHXSUCH-ZETCQYMHSA-N
MW149.15 g/mol
LogP0.81
Rot. Bonds

About (3S)-3-amino-3H-2-benzofuran-1-one

(3S)-3-amino-3H-2-benzofuran-1-one (PubChem CID 163831945) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is (3S)-3-amino-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name(3S)-3-amino-3H-2-benzofuran-1-one
PubChem CID163831945
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name(3S)-3-amino-3H-2-benzofuran-1-one
SMILESN[C@H]1OC(=O)c2ccccc21
InChIInChI=1S/C8H7NO2/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7H,9H2/t7-/m0/s1
InChIKeyOEIOKPQWHXSUCH-ZETCQYMHSA-N
XLogP0.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-3H-2-benzofuran-1-one
CID 10197780
(3S)-3-propan-2-yl-3H-2-benzofuran-1-one
CID 102418556
[amino-[(3-oxo-1H-2-benzofuran-1-yl)sulfanyl]methylidene]azanium
CID 102440888
3-(N-phenylanilino)-3H-2-benzofuran-1-one
CID 19245101
(3R)-3-[(1S)-1-hydroxyethyl]-3H-2-benzofuran-1-one
CID 131155996
(3S)-3-[(1S)-1-hydroxyethyl]-3H-2-benzofuran-1-one
CID 131041803
(3S)-3-phenyl-3H-2-benzofuran-1-one
CID 725855
(3-oxo-1H-2-benzofuran-1-yl)-triphenylphosphanium;hydrobromide
CID 175507465
(3-oxo-1H-2-benzofuran-1-yl)-triphenylphosphanium bromide
CID 19988374
3-(trifluoromethyl)-3H-2-benzofuran-1-one
CID 12546977
3-[(2S)-butan-2-yl]-3H-2-benzofuran-1-one
CID 90910202
1-(3-oxo-1H-2-benzofuran-1-yl)pyridin-2-one
CID 19824064

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3H-2-benzofuran-1-one?
The IUPAC name of (3S)-3-amino-3H-2-benzofuran-1-one (CID 163831945) is (3S)-3-amino-3H-2-benzofuran-1-one.
What is the SMILES notation for (3S)-3-amino-3H-2-benzofuran-1-one?
The canonical SMILES for (3S)-3-amino-3H-2-benzofuran-1-one is N[C@H]1OC(=O)c2ccccc21.
What is the InChIKey of (3S)-3-amino-3H-2-benzofuran-1-one?
The InChIKey is OEIOKPQWHXSUCH-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H7NO2/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7H,9H2/t7-/m0/s1.
What are the key properties of (3S)-3-amino-3H-2-benzofuran-1-one?
(3S)-3-amino-3H-2-benzofuran-1-one has a molecular weight of 149.15 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3H-2-benzofuran-1-one is sourced from PubChem (CID 163831945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).