6-chloro-1'-methylspiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

C11H11ClN2O2 — CID 118941367

IUPAC6-chloro-1'-methylspiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESCN1CCC2(C1)OC(=O)c1cnc(Cl)cc12
InChIInChI=1S/C11H11ClN2O2/c1-14-3-2-11(6-14)8-4-9(12)13-5-7(8)10(15)16-11/h4-5H,2-3,6H2,1H3
InChIKeyKCADRPAJPHDVID-UHFFFAOYSA-N
MW238.67 g/mol
LogP1.44
Rot. Bonds

About 6-chloro-1'-methylspiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

6-chloro-1'-methylspiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (PubChem CID 118941367) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 6-chloro-1'-methylspiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.

Molecular Properties

Compound Name6-chloro-1'-methylspiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
PubChem CID118941367
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name6-chloro-1'-methylspiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESCN1CCC2(C1)OC(=O)c1cnc(Cl)cc12
InChIInChI=1S/C11H11ClN2O2/c1-14-3-2-11(6-14)8-4-9(12)13-5-7(8)10(15)16-11/h4-5H,2-3,6H2,1H3
InChIKeyKCADRPAJPHDVID-UHFFFAOYSA-N
XLogP1.44
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-1'-methylspiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one 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 6-chloro-1'-methylspiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The IUPAC name of 6-chloro-1'-methylspiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (CID 118941367) is 6-chloro-1'-methylspiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.
What is the SMILES notation for 6-chloro-1'-methylspiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The canonical SMILES for 6-chloro-1'-methylspiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is CN1CCC2(C1)OC(=O)c1cnc(Cl)cc12.
What is the InChIKey of 6-chloro-1'-methylspiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The InChIKey is KCADRPAJPHDVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-14-3-2-11(6-14)8-4-9(12)13-5-7(8)10(15)16-11/h4-5H,2-3,6H2,1H3.
What are the key properties of 6-chloro-1'-methylspiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
6-chloro-1'-methylspiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one has a molecular weight of 238.67 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1'-methylspiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is sourced from PubChem (CID 118941367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).