methyl 6-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate

C11H15N2O2+ — CID 7018311

IUPACmethyl 6-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCCC2)[nH+]c1
InChIInChI=1S/C11H14N2O2/c1-15-11(14)9-4-5-10(12-8-9)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3/p+1
InChIKeyOWOKTZZFJFFUKY-UHFFFAOYSA-O
MW207.25 g/mol
LogP0.89
Rot. Bonds2

About methyl 6-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate

methyl 6-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate (PubChem CID 7018311) has the molecular formula C11H15N2O2+ and a molecular weight of 207.25 g/mol. Its IUPAC name is methyl 6-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate
PubChem CID7018311
Molecular FormulaC11H15N2O2+
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Namemethyl 6-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCCC2)[nH+]c1
InChIInChI=1S/C11H14N2O2/c1-15-11(14)9-4-5-10(12-8-9)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3/p+1
InChIKeyOWOKTZZFJFFUKY-UHFFFAOYSA-O
XLogP0.89
TPSA43.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 6-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate?
The IUPAC name of methyl 6-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate (CID 7018311) is methyl 6-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate.
What is the SMILES notation for methyl 6-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate?
The canonical SMILES for methyl 6-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate is COC(=O)c1ccc(N2CCCC2)[nH+]c1.
What is the InChIKey of methyl 6-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate?
The InChIKey is OWOKTZZFJFFUKY-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H14N2O2/c1-15-11(14)9-4-5-10(12-8-9)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3/p+1.
What are the key properties of methyl 6-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate?
methyl 6-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate has a molecular weight of 207.25 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate is sourced from PubChem (CID 7018311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).