8-fluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

C13H15FN2O2 — CID 164943120

IUPAC8-fluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCc1cc(F)c2n(c1=O)C1(CCCCC1)NC2=O
InChIInChI=1S/C13H15FN2O2/c1-8-7-9(14)10-11(17)15-13(16(10)12(8)18)5-3-2-4-6-13/h7H,2-6H2,1H3,(H,15,17)
InChIKeyMIVPBBNCWPYZLI-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.66
Rot. Bonds

About 8-fluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

8-fluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (PubChem CID 164943120) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 8-fluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

Molecular Properties

Compound Name8-fluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
PubChem CID164943120
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name8-fluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCc1cc(F)c2n(c1=O)C1(CCCCC1)NC2=O
InChIInChI=1S/C13H15FN2O2/c1-8-7-9(14)10-11(17)15-13(16(10)12(8)18)5-3-2-4-6-13/h7H,2-6H2,1H3,(H,15,17)
InChIKeyMIVPBBNCWPYZLI-UHFFFAOYSA-N
XLogP1.66
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The IUPAC name of 8-fluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (CID 164943120) is 8-fluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.
What is the SMILES notation for 8-fluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The canonical SMILES for 8-fluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is Cc1cc(F)c2n(c1=O)C1(CCCCC1)NC2=O.
What is the InChIKey of 8-fluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The InChIKey is MIVPBBNCWPYZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-8-7-9(14)10-11(17)15-13(16(10)12(8)18)5-3-2-4-6-13/h7H,2-6H2,1H3,(H,15,17).
What are the key properties of 8-fluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
8-fluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione has a molecular weight of 250.27 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is sourced from PubChem (CID 164943120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).