5'-(2-hydroxy-2-phenylethyl)spiro[cyclohexane-1,1'-furo[3,4-c]pyridine]-3',4'-dione

C20H21NO4 — CID 73347303

IUPAC5'-(2-hydroxy-2-phenylethyl)spiro[cyclohexane-1,1'-furo[3,4-c]pyridine]-3',4'-dione
SMILESO=C1OC2(CCCCC2)c2ccn(CC(O)c3ccccc3)c(=O)c21
InChIInChI=1S/C20H21NO4/c22-16(14-7-3-1-4-8-14)13-21-12-9-15-17(18(21)23)19(24)25-20(15)10-5-2-6-11-20/h1,3-4,7-9,12,16,22H,2,5-6,10-11,13H2
InChIKeyAOLYAWMJFCYCNY-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.91
Rot. Bonds3

About 5'-(2-hydroxy-2-phenylethyl)spiro[cyclohexane-1,1'-furo[3,4-c]pyridine]-3',4'-dione

5'-(2-hydroxy-2-phenylethyl)spiro[cyclohexane-1,1'-furo[3,4-c]pyridine]-3',4'-dione (PubChem CID 73347303) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 5'-(2-hydroxy-2-phenylethyl)spiro[cyclohexane-1,1'-furo[3,4-c]pyridine]-3',4'-dione.

Molecular Properties

Compound Name5'-(2-hydroxy-2-phenylethyl)spiro[cyclohexane-1,1'-furo[3,4-c]pyridine]-3',4'-dione
PubChem CID73347303
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name5'-(2-hydroxy-2-phenylethyl)spiro[cyclohexane-1,1'-furo[3,4-c]pyridine]-3',4'-dione
SMILESO=C1OC2(CCCCC2)c2ccn(CC(O)c3ccccc3)c(=O)c21
InChIInChI=1S/C20H21NO4/c22-16(14-7-3-1-4-8-14)13-21-12-9-15-17(18(21)23)19(24)25-20(15)10-5-2-6-11-20/h1,3-4,7-9,12,16,22H,2,5-6,10-11,13H2
InChIKeyAOLYAWMJFCYCNY-UHFFFAOYSA-N
XLogP2.91
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5'-(2-hydroxy-2-phenylethyl)spiro[cyclohexane-1,1'-furo[3,4-c]pyridine]-3',4'-dione?
The IUPAC name of 5'-(2-hydroxy-2-phenylethyl)spiro[cyclohexane-1,1'-furo[3,4-c]pyridine]-3',4'-dione (CID 73347303) is 5'-(2-hydroxy-2-phenylethyl)spiro[cyclohexane-1,1'-furo[3,4-c]pyridine]-3',4'-dione.
What is the SMILES notation for 5'-(2-hydroxy-2-phenylethyl)spiro[cyclohexane-1,1'-furo[3,4-c]pyridine]-3',4'-dione?
The canonical SMILES for 5'-(2-hydroxy-2-phenylethyl)spiro[cyclohexane-1,1'-furo[3,4-c]pyridine]-3',4'-dione is O=C1OC2(CCCCC2)c2ccn(CC(O)c3ccccc3)c(=O)c21.
What is the InChIKey of 5'-(2-hydroxy-2-phenylethyl)spiro[cyclohexane-1,1'-furo[3,4-c]pyridine]-3',4'-dione?
The InChIKey is AOLYAWMJFCYCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c22-16(14-7-3-1-4-8-14)13-21-12-9-15-17(18(21)23)19(24)25-20(15)10-5-2-6-11-20/h1,3-4,7-9,12,16,22H,2,5-6,10-11,13H2.
What are the key properties of 5'-(2-hydroxy-2-phenylethyl)spiro[cyclohexane-1,1'-furo[3,4-c]pyridine]-3',4'-dione?
5'-(2-hydroxy-2-phenylethyl)spiro[cyclohexane-1,1'-furo[3,4-c]pyridine]-3',4'-dione has a molecular weight of 339.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(2-hydroxy-2-phenylethyl)spiro[cyclohexane-1,1'-furo[3,4-c]pyridine]-3',4'-dione is sourced from PubChem (CID 73347303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).