1-benzyl-2-(furan-2-ylmethyl)pyrrolidine

C16H19NO — CID 44596412

IUPAC1-benzyl-2-(furan-2-ylmethyl)pyrrolidine
SMILESc1ccc(CN2CCCC2Cc2ccco2)cc1
InChIInChI=1S/C16H19NO/c1-2-6-14(7-3-1)13-17-10-4-8-15(17)12-16-9-5-11-18-16/h1-3,5-7,9,11,15H,4,8,10,12-13H2
InChIKeyJYLRFROSLWYXBY-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.49
Rot. Bonds4

About 1-benzyl-2-(furan-2-ylmethyl)pyrrolidine

1-benzyl-2-(furan-2-ylmethyl)pyrrolidine (PubChem CID 44596412) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-benzyl-2-(furan-2-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name1-benzyl-2-(furan-2-ylmethyl)pyrrolidine
PubChem CID44596412
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-benzyl-2-(furan-2-ylmethyl)pyrrolidine
SMILESc1ccc(CN2CCCC2Cc2ccco2)cc1
InChIInChI=1S/C16H19NO/c1-2-6-14(7-3-1)13-17-10-4-8-15(17)12-16-9-5-11-18-16/h1-3,5-7,9,11,15H,4,8,10,12-13H2
InChIKeyJYLRFROSLWYXBY-UHFFFAOYSA-N
XLogP3.49
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]methanamine
CID 94011431
2-(2-benzylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 42888028
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
2-[(2R)-1-benzylpyrrolidin-2-yl]acetonitrile
CID 124565775
N-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine
CID 62580013
2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
CID 142002278
(1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane
CID 44631754
1-benzyl-2-(3H-dioxol-5-ylmethyl)piperidine
CID 174556889
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
CID 94499350
1-benzyl-2-(nitromethyl)pyrrolidine
CID 25198322

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(furan-2-ylmethyl)pyrrolidine?
The IUPAC name of 1-benzyl-2-(furan-2-ylmethyl)pyrrolidine (CID 44596412) is 1-benzyl-2-(furan-2-ylmethyl)pyrrolidine.
What is the SMILES notation for 1-benzyl-2-(furan-2-ylmethyl)pyrrolidine?
The canonical SMILES for 1-benzyl-2-(furan-2-ylmethyl)pyrrolidine is c1ccc(CN2CCCC2Cc2ccco2)cc1.
What is the InChIKey of 1-benzyl-2-(furan-2-ylmethyl)pyrrolidine?
The InChIKey is JYLRFROSLWYXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-6-14(7-3-1)13-17-10-4-8-15(17)12-16-9-5-11-18-16/h1-3,5-7,9,11,15H,4,8,10,12-13H2.
What are the key properties of 1-benzyl-2-(furan-2-ylmethyl)pyrrolidine?
1-benzyl-2-(furan-2-ylmethyl)pyrrolidine has a molecular weight of 241.33 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(furan-2-ylmethyl)pyrrolidine is sourced from PubChem (CID 44596412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).