3-(1-benzofuran-2-yl)-2-methylpyrrolidine

C13H15NO — CID 63897339

IUPAC3-(1-benzofuran-2-yl)-2-methylpyrrolidine
SMILESCC1NCCC1c1cc2ccccc2o1
InChIInChI=1S/C13H15NO/c1-9-11(6-7-14-9)13-8-10-4-2-3-5-12(10)15-13/h2-5,8-9,11,14H,6-7H2,1H3
InChIKeyHSRRAXPLVGPXBH-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.90
Rot. Bonds1

About 3-(1-benzofuran-2-yl)-2-methylpyrrolidine

3-(1-benzofuran-2-yl)-2-methylpyrrolidine (PubChem CID 63897339) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-2-methylpyrrolidine.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-2-methylpyrrolidine
PubChem CID63897339
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-(1-benzofuran-2-yl)-2-methylpyrrolidine
SMILESCC1NCCC1c1cc2ccccc2o1
InChIInChI=1S/C13H15NO/c1-9-11(6-7-14-9)13-8-10-4-2-3-5-12(10)15-13/h2-5,8-9,11,14H,6-7H2,1H3
InChIKeyHSRRAXPLVGPXBH-UHFFFAOYSA-N
XLogP2.90
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 66216793
2-(3,4-dimethyloxolan-2-yl)-1-benzofuran
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N-[[2-(1-benzofuran-2-yl)-4-methylcyclohexyl]methyl]ethanamine
CID 114735847
3-(1-benzofuran-2-yl)-5-methyl-1,4-thiazepane
CID 66232168
2-(dioxetan-3-yl)-1-benzofuran
CID 139777260
(4R,5R)-5-(1-benzofuran-2-yl)-4-methyloxolan-2-one
CID 15053872
2-(1-benzofuran-2-yl)-N-propylcycloheptan-1-amine
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3-(1-benzofuran-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780929

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-2-methylpyrrolidine?
The IUPAC name of 3-(1-benzofuran-2-yl)-2-methylpyrrolidine (CID 63897339) is 3-(1-benzofuran-2-yl)-2-methylpyrrolidine.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-2-methylpyrrolidine?
The canonical SMILES for 3-(1-benzofuran-2-yl)-2-methylpyrrolidine is CC1NCCC1c1cc2ccccc2o1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-2-methylpyrrolidine?
The InChIKey is HSRRAXPLVGPXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-9-11(6-7-14-9)13-8-10-4-2-3-5-12(10)15-13/h2-5,8-9,11,14H,6-7H2,1H3.
What are the key properties of 3-(1-benzofuran-2-yl)-2-methylpyrrolidine?
3-(1-benzofuran-2-yl)-2-methylpyrrolidine has a molecular weight of 201.27 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-2-methylpyrrolidine is sourced from PubChem (CID 63897339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).