1-hydroxy-1-methylspiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-3'-one

C13H15NO3 — CID 23522807

IUPAC1-hydroxy-1-methylspiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-3'-one
SMILESCC1(O)CCC2(CC1)OC(=O)c1cnccc12
InChIInChI=1S/C13H15NO3/c1-12(16)3-5-13(6-4-12)10-2-7-14-8-9(10)11(15)17-13/h2,7-8,16H,3-6H2,1H3
InChIKeyGSXSBXBZGCHCLS-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.77
Rot. Bonds

About 1-hydroxy-1-methylspiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-3'-one

1-hydroxy-1-methylspiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-3'-one (PubChem CID 23522807) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-hydroxy-1-methylspiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-3'-one.

Molecular Properties

Compound Name1-hydroxy-1-methylspiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-3'-one
PubChem CID23522807
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-hydroxy-1-methylspiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-3'-one
SMILESCC1(O)CCC2(CC1)OC(=O)c1cnccc12
InChIInChI=1S/C13H15NO3/c1-12(16)3-5-13(6-4-12)10-2-7-14-8-9(10)11(15)17-13/h2,7-8,16H,3-6H2,1H3
InChIKeyGSXSBXBZGCHCLS-UHFFFAOYSA-N
XLogP1.77
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-hydroxy-1-methylspiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-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 1-hydroxy-1-methylspiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-3'-one?
The IUPAC name of 1-hydroxy-1-methylspiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-3'-one (CID 23522807) is 1-hydroxy-1-methylspiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-3'-one.
What is the SMILES notation for 1-hydroxy-1-methylspiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-3'-one?
The canonical SMILES for 1-hydroxy-1-methylspiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-3'-one is CC1(O)CCC2(CC1)OC(=O)c1cnccc12.
What is the InChIKey of 1-hydroxy-1-methylspiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-3'-one?
The InChIKey is GSXSBXBZGCHCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-12(16)3-5-13(6-4-12)10-2-7-14-8-9(10)11(15)17-13/h2,7-8,16H,3-6H2,1H3.
What are the key properties of 1-hydroxy-1-methylspiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-3'-one?
1-hydroxy-1-methylspiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-3'-one has a molecular weight of 233.27 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-methylspiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-3'-one is sourced from PubChem (CID 23522807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).