3-phenylmethoxypyrrolidine

C11H15NO — CID 14497353

IUPAC3-phenylmethoxypyrrolidine
SMILESc1ccc(COC2CCNC2)cc1
InChIInChI=1S/C11H15NO/c1-2-4-10(5-3-1)9-13-11-6-7-12-8-11/h1-5,11-12H,6-9H2
InChIKeyCWBMYKUPMLRKQK-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.57
Rot. Bonds3

About 3-phenylmethoxypyrrolidine

3-phenylmethoxypyrrolidine (PubChem CID 14497353) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-phenylmethoxypyrrolidine.

Molecular Properties

Compound Name3-phenylmethoxypyrrolidine
PubChem CID14497353
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-phenylmethoxypyrrolidine
SMILESc1ccc(COC2CCNC2)cc1
InChIInChI=1S/C11H15NO/c1-2-4-10(5-3-1)9-13-11-6-7-12-8-11/h1-5,11-12H,6-9H2
InChIKeyCWBMYKUPMLRKQK-UHFFFAOYSA-N
XLogP1.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxypyrrolidine?
The IUPAC name of 3-phenylmethoxypyrrolidine (CID 14497353) is 3-phenylmethoxypyrrolidine.
What is the SMILES notation for 3-phenylmethoxypyrrolidine?
The canonical SMILES for 3-phenylmethoxypyrrolidine is c1ccc(COC2CCNC2)cc1.
What is the InChIKey of 3-phenylmethoxypyrrolidine?
The InChIKey is CWBMYKUPMLRKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-4-10(5-3-1)9-13-11-6-7-12-8-11/h1-5,11-12H,6-9H2.
What are the key properties of 3-phenylmethoxypyrrolidine?
3-phenylmethoxypyrrolidine has a molecular weight of 177.25 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxypyrrolidine is sourced from PubChem (CID 14497353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).