[(1R)-1-(1-benzofuran-2-yl)-2-hydroxyethyl]azanium

C10H12NO2+ — CID 140776559

IUPAC[(1R)-1-(1-benzofuran-2-yl)-2-hydroxyethyl]azanium
SMILES[NH3+][C@H](CO)c1cc2ccccc2o1
InChIInChI=1S/C10H11NO2/c11-8(6-12)10-5-7-3-1-2-4-9(7)13-10/h1-5,8,12H,6,11H2/p+1/t8-/m1/s1
InChIKeyRGPFVVNMRDRSNU-MRVPVSSYSA-O
MW178.21 g/mol
LogP0.71
Rot. Bonds2

About [(1R)-1-(1-benzofuran-2-yl)-2-hydroxyethyl]azanium

[(1R)-1-(1-benzofuran-2-yl)-2-hydroxyethyl]azanium (PubChem CID 140776559) has the molecular formula C10H12NO2+ and a molecular weight of 178.21 g/mol. Its IUPAC name is [(1R)-1-(1-benzofuran-2-yl)-2-hydroxyethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(1-benzofuran-2-yl)-2-hydroxyethyl]azanium
PubChem CID140776559
Molecular FormulaC10H12NO2+
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name[(1R)-1-(1-benzofuran-2-yl)-2-hydroxyethyl]azanium
SMILES[NH3+][C@H](CO)c1cc2ccccc2o1
InChIInChI=1S/C10H11NO2/c11-8(6-12)10-5-7-3-1-2-4-9(7)13-10/h1-5,8,12H,6,11H2/p+1/t8-/m1/s1
InChIKeyRGPFVVNMRDRSNU-MRVPVSSYSA-O
XLogP0.71
TPSA61.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(1-benzofuran-2-yl)-2-hydroxyethyl]azanium?
The IUPAC name of [(1R)-1-(1-benzofuran-2-yl)-2-hydroxyethyl]azanium (CID 140776559) is [(1R)-1-(1-benzofuran-2-yl)-2-hydroxyethyl]azanium.
What is the SMILES notation for [(1R)-1-(1-benzofuran-2-yl)-2-hydroxyethyl]azanium?
The canonical SMILES for [(1R)-1-(1-benzofuran-2-yl)-2-hydroxyethyl]azanium is [NH3+][C@H](CO)c1cc2ccccc2o1.
What is the InChIKey of [(1R)-1-(1-benzofuran-2-yl)-2-hydroxyethyl]azanium?
The InChIKey is RGPFVVNMRDRSNU-MRVPVSSYSA-O. The full InChI is InChI=1S/C10H11NO2/c11-8(6-12)10-5-7-3-1-2-4-9(7)13-10/h1-5,8,12H,6,11H2/p+1/t8-/m1/s1.
What are the key properties of [(1R)-1-(1-benzofuran-2-yl)-2-hydroxyethyl]azanium?
[(1R)-1-(1-benzofuran-2-yl)-2-hydroxyethyl]azanium has a molecular weight of 178.21 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(1-benzofuran-2-yl)-2-hydroxyethyl]azanium is sourced from PubChem (CID 140776559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).