3-(3-methoxyphenyl)pyrrolidine

C11H15NO — CID 12937991

IUPAC3-(3-methoxyphenyl)pyrrolidine
SMILESCOc1cccc(C2CCNC2)c1
InChIInChI=1S/C11H15NO/c1-13-11-4-2-3-9(7-11)10-5-6-12-8-10/h2-4,7,10,12H,5-6,8H2,1H3
InChIKeyMDZWFRVPKYMLPL-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.77
Rot. Bonds2

About 3-(3-methoxyphenyl)pyrrolidine

3-(3-methoxyphenyl)pyrrolidine (PubChem CID 12937991) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)pyrrolidine
PubChem CID12937991
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-(3-methoxyphenyl)pyrrolidine
SMILESCOc1cccc(C2CCNC2)c1
InChIInChI=1S/C11H15NO/c1-13-11-4-2-3-9(7-11)10-5-6-12-8-10/h2-4,7,10,12H,5-6,8H2,1H3
InChIKeyMDZWFRVPKYMLPL-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-(3-methoxyphenyl)pyrrolidine?
The IUPAC name of 3-(3-methoxyphenyl)pyrrolidine (CID 12937991) is 3-(3-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 3-(3-methoxyphenyl)pyrrolidine?
The canonical SMILES for 3-(3-methoxyphenyl)pyrrolidine is COc1cccc(C2CCNC2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)pyrrolidine?
The InChIKey is MDZWFRVPKYMLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-13-11-4-2-3-9(7-11)10-5-6-12-8-10/h2-4,7,10,12H,5-6,8H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)pyrrolidine?
3-(3-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-(3-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 12937991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).