2-(7-methoxy-2-methyl-1-benzofuran-4-yl)-2-methylpyrrolidine

C15H19NO2 — CID 82622635

IUPAC2-(7-methoxy-2-methyl-1-benzofuran-4-yl)-2-methylpyrrolidine
SMILESCOc1ccc(C2(C)CCCN2)c2cc(C)oc12
InChIInChI=1S/C15H19NO2/c1-10-9-11-12(15(2)7-4-8-16-15)5-6-13(17-3)14(11)18-10/h5-6,9,16H,4,7-8H2,1-3H3
InChIKeyHTERZNLYUZQFPF-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.35
Rot. Bonds2

About 2-(7-methoxy-2-methyl-1-benzofuran-4-yl)-2-methylpyrrolidine

2-(7-methoxy-2-methyl-1-benzofuran-4-yl)-2-methylpyrrolidine (PubChem CID 82622635) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(7-methoxy-2-methyl-1-benzofuran-4-yl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(7-methoxy-2-methyl-1-benzofuran-4-yl)-2-methylpyrrolidine
PubChem CID82622635
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-(7-methoxy-2-methyl-1-benzofuran-4-yl)-2-methylpyrrolidine
SMILESCOc1ccc(C2(C)CCCN2)c2cc(C)oc12
InChIInChI=1S/C15H19NO2/c1-10-9-11-12(15(2)7-4-8-16-15)5-6-13(17-3)14(11)18-10/h5-6,9,16H,4,7-8H2,1-3H3
InChIKeyHTERZNLYUZQFPF-UHFFFAOYSA-N
XLogP3.35
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-2-methyl-1-benzofuran-4-yl)-2-methylpyrrolidine?
The IUPAC name of 2-(7-methoxy-2-methyl-1-benzofuran-4-yl)-2-methylpyrrolidine (CID 82622635) is 2-(7-methoxy-2-methyl-1-benzofuran-4-yl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(7-methoxy-2-methyl-1-benzofuran-4-yl)-2-methylpyrrolidine?
The canonical SMILES for 2-(7-methoxy-2-methyl-1-benzofuran-4-yl)-2-methylpyrrolidine is COc1ccc(C2(C)CCCN2)c2cc(C)oc12.
What is the InChIKey of 2-(7-methoxy-2-methyl-1-benzofuran-4-yl)-2-methylpyrrolidine?
The InChIKey is HTERZNLYUZQFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10-9-11-12(15(2)7-4-8-16-15)5-6-13(17-3)14(11)18-10/h5-6,9,16H,4,7-8H2,1-3H3.
What are the key properties of 2-(7-methoxy-2-methyl-1-benzofuran-4-yl)-2-methylpyrrolidine?
2-(7-methoxy-2-methyl-1-benzofuran-4-yl)-2-methylpyrrolidine has a molecular weight of 245.32 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-2-methyl-1-benzofuran-4-yl)-2-methylpyrrolidine is sourced from PubChem (CID 82622635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).