2-[(cyclobutylamino)methyl]-1-benzofuran-7-ol

C13H15NO2 — CID 117182713

IUPAC2-[(cyclobutylamino)methyl]-1-benzofuran-7-ol
SMILESOc1cccc2cc(CNC3CCC3)oc12
InChIInChI=1S/C13H15NO2/c15-12-6-1-3-9-7-11(16-13(9)12)8-14-10-4-2-5-10/h1,3,6-7,10,14-15H,2,4-5,8H2
InChIKeyFDYRKRNDKHDGQU-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.78
Rot. Bonds3

About 2-[(cyclobutylamino)methyl]-1-benzofuran-7-ol

2-[(cyclobutylamino)methyl]-1-benzofuran-7-ol (PubChem CID 117182713) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[(cyclobutylamino)methyl]-1-benzofuran-7-ol.

Molecular Properties

Compound Name2-[(cyclobutylamino)methyl]-1-benzofuran-7-ol
PubChem CID117182713
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-[(cyclobutylamino)methyl]-1-benzofuran-7-ol
SMILESOc1cccc2cc(CNC3CCC3)oc12
InChIInChI=1S/C13H15NO2/c15-12-6-1-3-9-7-11(16-13(9)12)8-14-10-4-2-5-10/h1,3,6-7,10,14-15H,2,4-5,8H2
InChIKeyFDYRKRNDKHDGQU-UHFFFAOYSA-N
XLogP2.78
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclobutylamino)methyl]-1-benzofuran-7-ol?
The IUPAC name of 2-[(cyclobutylamino)methyl]-1-benzofuran-7-ol (CID 117182713) is 2-[(cyclobutylamino)methyl]-1-benzofuran-7-ol.
What is the SMILES notation for 2-[(cyclobutylamino)methyl]-1-benzofuran-7-ol?
The canonical SMILES for 2-[(cyclobutylamino)methyl]-1-benzofuran-7-ol is Oc1cccc2cc(CNC3CCC3)oc12.
What is the InChIKey of 2-[(cyclobutylamino)methyl]-1-benzofuran-7-ol?
The InChIKey is FDYRKRNDKHDGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-12-6-1-3-9-7-11(16-13(9)12)8-14-10-4-2-5-10/h1,3,6-7,10,14-15H,2,4-5,8H2.
What are the key properties of 2-[(cyclobutylamino)methyl]-1-benzofuran-7-ol?
2-[(cyclobutylamino)methyl]-1-benzofuran-7-ol has a molecular weight of 217.27 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclobutylamino)methyl]-1-benzofuran-7-ol is sourced from PubChem (CID 117182713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).