2-(3,4-dimethoxyphenyl)pyrrolidine

C12H17NO2 — CID 3510885

IUPAC2-(3,4-dimethoxyphenyl)pyrrolidine
SMILESCOc1ccc(C2CCCN2)cc1OC
InChIInChI=1S/C12H17NO2/c1-14-11-6-5-9(8-12(11)15-2)10-4-3-7-13-10/h5-6,8,10,13H,3-4,7H2,1-2H3
InChIKeyQDPNOFVFBQDGHG-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.13
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)pyrrolidine

2-(3,4-dimethoxyphenyl)pyrrolidine (PubChem CID 3510885) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)pyrrolidine
PubChem CID3510885
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(3,4-dimethoxyphenyl)pyrrolidine
SMILESCOc1ccc(C2CCCN2)cc1OC
InChIInChI=1S/C12H17NO2/c1-14-11-6-5-9(8-12(11)15-2)10-4-3-7-13-10/h5-6,8,10,13H,3-4,7H2,1-2H3
InChIKeyQDPNOFVFBQDGHG-UHFFFAOYSA-N
XLogP2.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)pyrrolidine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)pyrrolidine (CID 3510885) is 2-(3,4-dimethoxyphenyl)pyrrolidine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)pyrrolidine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)pyrrolidine is COc1ccc(C2CCCN2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)pyrrolidine?
The InChIKey is QDPNOFVFBQDGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-14-11-6-5-9(8-12(11)15-2)10-4-3-7-13-10/h5-6,8,10,13H,3-4,7H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)pyrrolidine?
2-(3,4-dimethoxyphenyl)pyrrolidine has a molecular weight of 207.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)pyrrolidine is sourced from PubChem (CID 3510885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).