2-ethyl-2-[(2-methyl-1-benzofuran-3-yl)methyl]pyrrolidine

C16H21NO — CID 104688313

IUPAC2-ethyl-2-[(2-methyl-1-benzofuran-3-yl)methyl]pyrrolidine
SMILESCCC1(Cc2c(C)oc3ccccc23)CCCN1
InChIInChI=1S/C16H21NO/c1-3-16(9-6-10-17-16)11-14-12(2)18-15-8-5-4-7-13(14)15/h4-5,7-8,17H,3,6,9-11H2,1-2H3
InChIKeyRGSPLKVYYOGLJL-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.82
Rot. Bonds3

About 2-ethyl-2-[(2-methyl-1-benzofuran-3-yl)methyl]pyrrolidine

2-ethyl-2-[(2-methyl-1-benzofuran-3-yl)methyl]pyrrolidine (PubChem CID 104688313) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-ethyl-2-[(2-methyl-1-benzofuran-3-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-ethyl-2-[(2-methyl-1-benzofuran-3-yl)methyl]pyrrolidine
PubChem CID104688313
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-ethyl-2-[(2-methyl-1-benzofuran-3-yl)methyl]pyrrolidine
SMILESCCC1(Cc2c(C)oc3ccccc23)CCCN1
InChIInChI=1S/C16H21NO/c1-3-16(9-6-10-17-16)11-14-12(2)18-15-8-5-4-7-13(14)15/h4-5,7-8,17H,3,6,9-11H2,1-2H3
InChIKeyRGSPLKVYYOGLJL-UHFFFAOYSA-N
XLogP3.82
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2-methyl-1-benzofuran-3-yl)methyl]pyrrolidine?
The IUPAC name of 2-ethyl-2-[(2-methyl-1-benzofuran-3-yl)methyl]pyrrolidine (CID 104688313) is 2-ethyl-2-[(2-methyl-1-benzofuran-3-yl)methyl]pyrrolidine.
What is the SMILES notation for 2-ethyl-2-[(2-methyl-1-benzofuran-3-yl)methyl]pyrrolidine?
The canonical SMILES for 2-ethyl-2-[(2-methyl-1-benzofuran-3-yl)methyl]pyrrolidine is CCC1(Cc2c(C)oc3ccccc23)CCCN1.
What is the InChIKey of 2-ethyl-2-[(2-methyl-1-benzofuran-3-yl)methyl]pyrrolidine?
The InChIKey is RGSPLKVYYOGLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-16(9-6-10-17-16)11-14-12(2)18-15-8-5-4-7-13(14)15/h4-5,7-8,17H,3,6,9-11H2,1-2H3.
What are the key properties of 2-ethyl-2-[(2-methyl-1-benzofuran-3-yl)methyl]pyrrolidine?
2-ethyl-2-[(2-methyl-1-benzofuran-3-yl)methyl]pyrrolidine has a molecular weight of 243.35 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2-methyl-1-benzofuran-3-yl)methyl]pyrrolidine is sourced from PubChem (CID 104688313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).