4-fluorospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

C10H9FN2O2 — CID 66662047

IUPAC4-fluorospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESO=C1OC2(CCNC2)c2ccnc(F)c21
InChIInChI=1S/C10H9FN2O2/c11-8-7-6(1-3-13-8)10(15-9(7)14)2-4-12-5-10/h1,3,12H,2,4-5H2
InChIKeyGDNWELNGRWICNU-UHFFFAOYSA-N
MW208.19 g/mol
LogP0.58
Rot. Bonds

About 4-fluorospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

4-fluorospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (PubChem CID 66662047) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 4-fluorospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.

Molecular Properties

Compound Name4-fluorospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
PubChem CID66662047
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name4-fluorospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESO=C1OC2(CCNC2)c2ccnc(F)c21
InChIInChI=1S/C10H9FN2O2/c11-8-7-6(1-3-13-8)10(15-9(7)14)2-4-12-5-10/h1,3,12H,2,4-5H2
InChIKeyGDNWELNGRWICNU-UHFFFAOYSA-N
XLogP0.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-1,1-dimethylfuro[3,4-c]pyridin-3(1H)-one
CID 55295877
4-Amino-1-ethyl-1-methylfuro[3,4-c]pyridin-3-one
CID 76332899
1,1,4-Trimethylfuro[3,4-c]pyridin-3-one
CID 76325674
(1R)-1'-[1-(2-fluorophenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66661880
3-Oxo-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carboxylic acid
CID 66661881
(1R)-1'-[1-(2,3-difluorophenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66661968
1'-[1-(2,4-Difluorophenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66662033
1'-[1-(2,3-Difluorophenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66662247
Tert-butyl 3-oxo-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carboxylate
CID 66662283
tert-butyl 4-fluoro-3-oxo-1H,3H-spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carboxylate
CID 66662440
1'-[1-(2-Fluorophenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66662596
6-(Trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one;dihydrochloride
CID 66662618

Frequently Asked Questions

What is the IUPAC name of 4-fluorospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The IUPAC name of 4-fluorospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (CID 66662047) is 4-fluorospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.
What is the SMILES notation for 4-fluorospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The canonical SMILES for 4-fluorospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is O=C1OC2(CCNC2)c2ccnc(F)c21.
What is the InChIKey of 4-fluorospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The InChIKey is GDNWELNGRWICNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c11-8-7-6(1-3-13-8)10(15-9(7)14)2-4-12-5-10/h1,3,12H,2,4-5H2.
What are the key properties of 4-fluorospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
4-fluorospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one has a molecular weight of 208.19 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is sourced from PubChem (CID 66662047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).