3-(naphthalen-2-yloxymethyl)pyrrolidine

C15H17NO — CID 44592197

IUPAC3-(naphthalen-2-yloxymethyl)pyrrolidine
SMILESc1ccc2cc(OCC3CCNC3)ccc2c1
InChIInChI=1S/C15H17NO/c1-2-4-14-9-15(6-5-13(14)3-1)17-11-12-7-8-16-10-12/h1-6,9,12,16H,7-8,10-11H2
InChIKeyFXQBHPKGRGPIKE-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.83
Rot. Bonds3

About 3-(naphthalen-2-yloxymethyl)pyrrolidine

3-(naphthalen-2-yloxymethyl)pyrrolidine (PubChem CID 44592197) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(naphthalen-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name3-(naphthalen-2-yloxymethyl)pyrrolidine
PubChem CID44592197
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3-(naphthalen-2-yloxymethyl)pyrrolidine
SMILESc1ccc2cc(OCC3CCNC3)ccc2c1
InChIInChI=1S/C15H17NO/c1-2-4-14-9-15(6-5-13(14)3-1)17-11-12-7-8-16-10-12/h1-6,9,12,16H,7-8,10-11H2
InChIKeyFXQBHPKGRGPIKE-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-2-yloxymethyl)pyrrolidine?
The IUPAC name of 3-(naphthalen-2-yloxymethyl)pyrrolidine (CID 44592197) is 3-(naphthalen-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for 3-(naphthalen-2-yloxymethyl)pyrrolidine?
The canonical SMILES for 3-(naphthalen-2-yloxymethyl)pyrrolidine is c1ccc2cc(OCC3CCNC3)ccc2c1.
What is the InChIKey of 3-(naphthalen-2-yloxymethyl)pyrrolidine?
The InChIKey is FXQBHPKGRGPIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-2-4-14-9-15(6-5-13(14)3-1)17-11-12-7-8-16-10-12/h1-6,9,12,16H,7-8,10-11H2.
What are the key properties of 3-(naphthalen-2-yloxymethyl)pyrrolidine?
3-(naphthalen-2-yloxymethyl)pyrrolidine has a molecular weight of 227.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 44592197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).