(3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine

C14H19NO — CID 26191920

IUPAC(3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine
SMILESc1cc2c(c(O[C@@H]3CCNC3)c1)CCCC2
InChIInChI=1S/C14H19NO/c1-2-6-13-11(4-1)5-3-7-14(13)16-12-8-9-15-10-12/h3,5,7,12,15H,1-2,4,6,8-10H2/t12-/m1/s1
InChIKeyICODQZPMSXUHEZ-GFCCVEGCSA-N
MW217.31 g/mol
LogP2.31
Rot. Bonds2

About (3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine

(3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine (PubChem CID 26191920) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine
PubChem CID26191920
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine
SMILESc1cc2c(c(O[C@@H]3CCNC3)c1)CCCC2
InChIInChI=1S/C14H19NO/c1-2-6-13-11(4-1)5-3-7-14(13)16-12-8-9-15-10-12/h3,5,7,12,15H,1-2,4,6,8-10H2/t12-/m1/s1
InChIKeyICODQZPMSXUHEZ-GFCCVEGCSA-N
XLogP2.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine?
The IUPAC name of (3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine (CID 26191920) is (3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine.
What is the SMILES notation for (3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine?
The canonical SMILES for (3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine is c1cc2c(c(O[C@@H]3CCNC3)c1)CCCC2.
What is the InChIKey of (3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine?
The InChIKey is ICODQZPMSXUHEZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-6-13-11(4-1)5-3-7-14(13)16-12-8-9-15-10-12/h3,5,7,12,15H,1-2,4,6,8-10H2/t12-/m1/s1.
What are the key properties of (3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine?
(3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine has a molecular weight of 217.31 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine is sourced from PubChem (CID 26191920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).