(3S)-3-(naphthalen-2-ylmethoxy)pyrrolidine

C15H17NO — CID 44592118

IUPAC(3S)-3-(naphthalen-2-ylmethoxy)pyrrolidine
SMILESc1ccc2cc(CO[C@H]3CCNC3)ccc2c1
InChIInChI=1S/C15H17NO/c1-2-4-14-9-12(5-6-13(14)3-1)11-17-15-7-8-16-10-15/h1-6,9,15-16H,7-8,10-11H2/t15-/m0/s1
InChIKeyIQZVBBALTJFFCB-HNNXBMFYSA-N
MW227.31 g/mol
LogP2.72
Rot. Bonds3

About (3S)-3-(naphthalen-2-ylmethoxy)pyrrolidine

(3S)-3-(naphthalen-2-ylmethoxy)pyrrolidine (PubChem CID 44592118) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (3S)-3-(naphthalen-2-ylmethoxy)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-(naphthalen-2-ylmethoxy)pyrrolidine
PubChem CID44592118
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(3S)-3-(naphthalen-2-ylmethoxy)pyrrolidine
SMILESc1ccc2cc(CO[C@H]3CCNC3)ccc2c1
InChIInChI=1S/C15H17NO/c1-2-4-14-9-12(5-6-13(14)3-1)11-17-15-7-8-16-10-15/h1-6,9,15-16H,7-8,10-11H2/t15-/m0/s1
InChIKeyIQZVBBALTJFFCB-HNNXBMFYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(naphthalen-2-ylmethoxy)pyrrolidine?
The IUPAC name of (3S)-3-(naphthalen-2-ylmethoxy)pyrrolidine (CID 44592118) is (3S)-3-(naphthalen-2-ylmethoxy)pyrrolidine.
What is the SMILES notation for (3S)-3-(naphthalen-2-ylmethoxy)pyrrolidine?
The canonical SMILES for (3S)-3-(naphthalen-2-ylmethoxy)pyrrolidine is c1ccc2cc(CO[C@H]3CCNC3)ccc2c1.
What is the InChIKey of (3S)-3-(naphthalen-2-ylmethoxy)pyrrolidine?
The InChIKey is IQZVBBALTJFFCB-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17NO/c1-2-4-14-9-12(5-6-13(14)3-1)11-17-15-7-8-16-10-15/h1-6,9,15-16H,7-8,10-11H2/t15-/m0/s1.
What are the key properties of (3S)-3-(naphthalen-2-ylmethoxy)pyrrolidine?
(3S)-3-(naphthalen-2-ylmethoxy)pyrrolidine has a molecular weight of 227.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(naphthalen-2-ylmethoxy)pyrrolidine is sourced from PubChem (CID 44592118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).