5-(3-aminopropyl)-1-benzofuran-6-ol

C11H13NO2 — CID 83877743

IUPAC5-(3-aminopropyl)-1-benzofuran-6-ol
SMILESNCCCc1cc2ccoc2cc1O
InChIInChI=1S/C11H13NO2/c12-4-1-2-8-6-9-3-5-14-11(9)7-10(8)13/h3,5-7,13H,1-2,4,12H2
InChIKeyYPIINNBPTQKWEF-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.03
Rot. Bonds3

About 5-(3-aminopropyl)-1-benzofuran-6-ol

5-(3-aminopropyl)-1-benzofuran-6-ol (PubChem CID 83877743) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-(3-aminopropyl)-1-benzofuran-6-ol.

Molecular Properties

Compound Name5-(3-aminopropyl)-1-benzofuran-6-ol
PubChem CID83877743
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name5-(3-aminopropyl)-1-benzofuran-6-ol
SMILESNCCCc1cc2ccoc2cc1O
InChIInChI=1S/C11H13NO2/c12-4-1-2-8-6-9-3-5-14-11(9)7-10(8)13/h3,5-7,13H,1-2,4,12H2
InChIKeyYPIINNBPTQKWEF-UHFFFAOYSA-N
XLogP2.03
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-1-benzofuran-6-ol?
The IUPAC name of 5-(3-aminopropyl)-1-benzofuran-6-ol (CID 83877743) is 5-(3-aminopropyl)-1-benzofuran-6-ol.
What is the SMILES notation for 5-(3-aminopropyl)-1-benzofuran-6-ol?
The canonical SMILES for 5-(3-aminopropyl)-1-benzofuran-6-ol is NCCCc1cc2ccoc2cc1O.
What is the InChIKey of 5-(3-aminopropyl)-1-benzofuran-6-ol?
The InChIKey is YPIINNBPTQKWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c12-4-1-2-8-6-9-3-5-14-11(9)7-10(8)13/h3,5-7,13H,1-2,4,12H2.
What are the key properties of 5-(3-aminopropyl)-1-benzofuran-6-ol?
5-(3-aminopropyl)-1-benzofuran-6-ol has a molecular weight of 191.23 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-1-benzofuran-6-ol is sourced from PubChem (CID 83877743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).