3'-fluoro-4-methylspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one

C13H14FNO2 — CID 59701342

IUPAC3'-fluoro-4-methylspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one
SMILESCC1CCC2(CC1)OC(=O)c1ncc(F)cc12
InChIInChI=1S/C13H14FNO2/c1-8-2-4-13(5-3-8)10-6-9(14)7-15-11(10)12(16)17-13/h6-8H,2-5H2,1H3
InChIKeyMRCVPPOVCVJSID-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.80
Rot. Bonds

About 3'-fluoro-4-methylspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one

3'-fluoro-4-methylspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one (PubChem CID 59701342) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 3'-fluoro-4-methylspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one.

Molecular Properties

Compound Name3'-fluoro-4-methylspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one
PubChem CID59701342
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name3'-fluoro-4-methylspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one
SMILESCC1CCC2(CC1)OC(=O)c1ncc(F)cc12
InChIInChI=1S/C13H14FNO2/c1-8-2-4-13(5-3-8)10-6-9(14)7-15-11(10)12(16)17-13/h6-8H,2-5H2,1H3
InChIKeyMRCVPPOVCVJSID-UHFFFAOYSA-N
XLogP2.80
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3'-fluoro-4-methylspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one?
The IUPAC name of 3'-fluoro-4-methylspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one (CID 59701342) is 3'-fluoro-4-methylspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one.
What is the SMILES notation for 3'-fluoro-4-methylspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one?
The canonical SMILES for 3'-fluoro-4-methylspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one is CC1CCC2(CC1)OC(=O)c1ncc(F)cc12.
What is the InChIKey of 3'-fluoro-4-methylspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one?
The InChIKey is MRCVPPOVCVJSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-8-2-4-13(5-3-8)10-6-9(14)7-15-11(10)12(16)17-13/h6-8H,2-5H2,1H3.
What are the key properties of 3'-fluoro-4-methylspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one?
3'-fluoro-4-methylspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one has a molecular weight of 235.26 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-fluoro-4-methylspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one is sourced from PubChem (CID 59701342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).