1'-butyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine]

C16H23NO2 — CID 24782051

IUPAC1'-butyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine]
SMILESCCCCN1CCC2(C1)OC(OC)c1ccccc12
InChIInChI=1S/C16H23NO2/c1-3-4-10-17-11-9-16(12-17)14-8-6-5-7-13(14)15(18-2)19-16/h5-8,15H,3-4,9-12H2,1-2H3
InChIKeyLIJLWEYHDGHOCR-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.06
Rot. Bonds4

About 1'-butyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine]

1'-butyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine] (PubChem CID 24782051) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1'-butyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine].

Molecular Properties

Compound Name1'-butyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine]
PubChem CID24782051
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1'-butyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine]
SMILESCCCCN1CCC2(C1)OC(OC)c1ccccc12
InChIInChI=1S/C16H23NO2/c1-3-4-10-17-11-9-16(12-17)14-8-6-5-7-13(14)15(18-2)19-16/h5-8,15H,3-4,9-12H2,1-2H3
InChIKeyLIJLWEYHDGHOCR-UHFFFAOYSA-N
XLogP3.06
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-butyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine]?
The IUPAC name of 1'-butyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine] (CID 24782051) is 1'-butyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine].
What is the SMILES notation for 1'-butyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine]?
The canonical SMILES for 1'-butyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine] is CCCCN1CCC2(C1)OC(OC)c1ccccc12.
What is the InChIKey of 1'-butyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine]?
The InChIKey is LIJLWEYHDGHOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-4-10-17-11-9-16(12-17)14-8-6-5-7-13(14)15(18-2)19-16/h5-8,15H,3-4,9-12H2,1-2H3.
What are the key properties of 1'-butyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine]?
1'-butyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine] has a molecular weight of 261.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-butyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine] is sourced from PubChem (CID 24782051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).