1-(3-methoxyphenyl)pyrrolidine

C11H15NO — CID 11217561

IUPAC1-(3-methoxyphenyl)pyrrolidine
SMILESCOc1cccc(N2CCCC2)c1
InChIInChI=1S/C11H15NO/c1-13-11-6-4-5-10(9-11)12-7-2-3-8-12/h4-6,9H,2-3,7-8H2,1H3
InChIKeySDWQEPLBCOZBFL-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.30
Rot. Bonds2

About 1-(3-methoxyphenyl)pyrrolidine

1-(3-methoxyphenyl)pyrrolidine (PubChem CID 11217561) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)pyrrolidine
PubChem CID11217561
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-(3-methoxyphenyl)pyrrolidine
SMILESCOc1cccc(N2CCCC2)c1
InChIInChI=1S/C11H15NO/c1-13-11-6-4-5-10(9-11)12-7-2-3-8-12/h4-6,9H,2-3,7-8H2,1H3
InChIKeySDWQEPLBCOZBFL-UHFFFAOYSA-N
XLogP2.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)pyrrolidine?
The IUPAC name of 1-(3-methoxyphenyl)pyrrolidine (CID 11217561) is 1-(3-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 1-(3-methoxyphenyl)pyrrolidine?
The canonical SMILES for 1-(3-methoxyphenyl)pyrrolidine is COc1cccc(N2CCCC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)pyrrolidine?
The InChIKey is SDWQEPLBCOZBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-13-11-6-4-5-10(9-11)12-7-2-3-8-12/h4-6,9H,2-3,7-8H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)pyrrolidine?
1-(3-methoxyphenyl)pyrrolidine has a molecular weight of 177.25 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 11217561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).