3-(4-methoxyphenyl)pyrrolidine

C11H15NO — CID 3869414

IUPAC3-(4-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(C2CCNC2)cc1
InChIInChI=1S/C11H15NO/c1-13-11-4-2-9(3-5-11)10-6-7-12-8-10/h2-5,10,12H,6-8H2,1H3
InChIKeyUPSZBLIRYUFEOF-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.77
Rot. Bonds2

About 3-(4-methoxyphenyl)pyrrolidine

3-(4-methoxyphenyl)pyrrolidine (PubChem CID 3869414) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)pyrrolidine
PubChem CID3869414
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-(4-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(C2CCNC2)cc1
InChIInChI=1S/C11H15NO/c1-13-11-4-2-9(3-5-11)10-6-7-12-8-10/h2-5,10,12H,6-8H2,1H3
InChIKeyUPSZBLIRYUFEOF-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)pyrrolidine?
The IUPAC name of 3-(4-methoxyphenyl)pyrrolidine (CID 3869414) is 3-(4-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 3-(4-methoxyphenyl)pyrrolidine?
The canonical SMILES for 3-(4-methoxyphenyl)pyrrolidine is COc1ccc(C2CCNC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)pyrrolidine?
The InChIKey is UPSZBLIRYUFEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-13-11-4-2-9(3-5-11)10-6-7-12-8-10/h2-5,10,12H,6-8H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)pyrrolidine?
3-(4-methoxyphenyl)pyrrolidine has a molecular weight of 177.25 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 3869414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).