7'-oxo-2'-phenylmethoxyspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxylic acid

C20H19NO5 — CID 67281186

IUPAC7'-oxo-2'-phenylmethoxyspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxylic acid
SMILESO=C1OC2(CCC(C(=O)O)CC2)c2ccc(OCc3ccccc3)nc21
InChIInChI=1S/C20H19NO5/c22-18(23)14-8-10-20(11-9-14)15-6-7-16(21-17(15)19(24)26-20)25-12-13-4-2-1-3-5-13/h1-7,14H,8-12H2,(H,22,23)
InChIKeyOSMRHRRPCUTRQT-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.30
Rot. Bonds4

About 7'-oxo-2'-phenylmethoxyspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxylic acid

7'-oxo-2'-phenylmethoxyspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxylic acid (PubChem CID 67281186) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is 7'-oxo-2'-phenylmethoxyspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxylic acid.

Molecular Properties

Compound Name7'-oxo-2'-phenylmethoxyspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxylic acid
PubChem CID67281186
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name7'-oxo-2'-phenylmethoxyspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxylic acid
SMILESO=C1OC2(CCC(C(=O)O)CC2)c2ccc(OCc3ccccc3)nc21
InChIInChI=1S/C20H19NO5/c22-18(23)14-8-10-20(11-9-14)15-6-7-16(21-17(15)19(24)26-20)25-12-13-4-2-1-3-5-13/h1-7,14H,8-12H2,(H,22,23)
InChIKeyOSMRHRRPCUTRQT-UHFFFAOYSA-N
XLogP3.30
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7'-oxo-2'-phenylmethoxyspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxylic acid?
The IUPAC name of 7'-oxo-2'-phenylmethoxyspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxylic acid (CID 67281186) is 7'-oxo-2'-phenylmethoxyspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxylic acid.
What is the SMILES notation for 7'-oxo-2'-phenylmethoxyspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxylic acid?
The canonical SMILES for 7'-oxo-2'-phenylmethoxyspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxylic acid is O=C1OC2(CCC(C(=O)O)CC2)c2ccc(OCc3ccccc3)nc21.
What is the InChIKey of 7'-oxo-2'-phenylmethoxyspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxylic acid?
The InChIKey is OSMRHRRPCUTRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c22-18(23)14-8-10-20(11-9-14)15-6-7-16(21-17(15)19(24)26-20)25-12-13-4-2-1-3-5-13/h1-7,14H,8-12H2,(H,22,23).
What are the key properties of 7'-oxo-2'-phenylmethoxyspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxylic acid?
7'-oxo-2'-phenylmethoxyspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxylic acid has a molecular weight of 353.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-oxo-2'-phenylmethoxyspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxylic acid is sourced from PubChem (CID 67281186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).