2-(3-methoxyphenyl)pyrrolidine

C11H15NO — CID 3613824

IUPAC2-(3-methoxyphenyl)pyrrolidine
SMILESCOc1cccc(C2CCCN2)c1
InChIInChI=1S/C11H15NO/c1-13-10-5-2-4-9(8-10)11-6-3-7-12-11/h2,4-5,8,11-12H,3,6-7H2,1H3
InChIKeyQGKFYRMABWIOIW-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.12
Rot. Bonds2

About 2-(3-methoxyphenyl)pyrrolidine

2-(3-methoxyphenyl)pyrrolidine (PubChem CID 3613824) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)pyrrolidine
PubChem CID3613824
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-(3-methoxyphenyl)pyrrolidine
SMILESCOc1cccc(C2CCCN2)c1
InChIInChI=1S/C11H15NO/c1-13-10-5-2-4-9(8-10)11-6-3-7-12-11/h2,4-5,8,11-12H,3,6-7H2,1H3
InChIKeyQGKFYRMABWIOIW-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)pyrrolidine?
The IUPAC name of 2-(3-methoxyphenyl)pyrrolidine (CID 3613824) is 2-(3-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 2-(3-methoxyphenyl)pyrrolidine?
The canonical SMILES for 2-(3-methoxyphenyl)pyrrolidine is COc1cccc(C2CCCN2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)pyrrolidine?
The InChIKey is QGKFYRMABWIOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-13-10-5-2-4-9(8-10)11-6-3-7-12-11/h2,4-5,8,11-12H,3,6-7H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)pyrrolidine?
2-(3-methoxyphenyl)pyrrolidine has a molecular weight of 177.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 3613824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).