1-spiro[cyclohexane-1,2'-pyrano[2,3-c]pyridine]-4'-ylpyridin-2-one

C18H18N2O2 — CID 23049028

IUPAC1-spiro[cyclohexane-1,2'-pyrano[2,3-c]pyridine]-4'-ylpyridin-2-one
SMILESO=c1ccccn1C1=CC2(CCCCC2)Oc2cnccc21
InChIInChI=1S/C18H18N2O2/c21-17-6-2-5-11-20(17)15-12-18(8-3-1-4-9-18)22-16-13-19-10-7-14(15)16/h2,5-7,10-13H,1,3-4,8-9H2
InChIKeyJBFYJDWZTOPNMF-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.23
Rot. Bonds1

About 1-spiro[cyclohexane-1,2'-pyrano[2,3-c]pyridine]-4'-ylpyridin-2-one

1-spiro[cyclohexane-1,2'-pyrano[2,3-c]pyridine]-4'-ylpyridin-2-one (PubChem CID 23049028) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-spiro[cyclohexane-1,2'-pyrano[2,3-c]pyridine]-4'-ylpyridin-2-one.

Molecular Properties

Compound Name1-spiro[cyclohexane-1,2'-pyrano[2,3-c]pyridine]-4'-ylpyridin-2-one
PubChem CID23049028
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name1-spiro[cyclohexane-1,2'-pyrano[2,3-c]pyridine]-4'-ylpyridin-2-one
SMILESO=c1ccccn1C1=CC2(CCCCC2)Oc2cnccc21
InChIInChI=1S/C18H18N2O2/c21-17-6-2-5-11-20(17)15-12-18(8-3-1-4-9-18)22-16-13-19-10-7-14(15)16/h2,5-7,10-13H,1,3-4,8-9H2
InChIKeyJBFYJDWZTOPNMF-UHFFFAOYSA-N
XLogP3.23
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-spiro[cyclohexane-1,2'-pyrano[2,3-c]pyridine]-4'-ylpyridin-2-one?
The IUPAC name of 1-spiro[cyclohexane-1,2'-pyrano[2,3-c]pyridine]-4'-ylpyridin-2-one (CID 23049028) is 1-spiro[cyclohexane-1,2'-pyrano[2,3-c]pyridine]-4'-ylpyridin-2-one.
What is the SMILES notation for 1-spiro[cyclohexane-1,2'-pyrano[2,3-c]pyridine]-4'-ylpyridin-2-one?
The canonical SMILES for 1-spiro[cyclohexane-1,2'-pyrano[2,3-c]pyridine]-4'-ylpyridin-2-one is O=c1ccccn1C1=CC2(CCCCC2)Oc2cnccc21.
What is the InChIKey of 1-spiro[cyclohexane-1,2'-pyrano[2,3-c]pyridine]-4'-ylpyridin-2-one?
The InChIKey is JBFYJDWZTOPNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-17-6-2-5-11-20(17)15-12-18(8-3-1-4-9-18)22-16-13-19-10-7-14(15)16/h2,5-7,10-13H,1,3-4,8-9H2.
What are the key properties of 1-spiro[cyclohexane-1,2'-pyrano[2,3-c]pyridine]-4'-ylpyridin-2-one?
1-spiro[cyclohexane-1,2'-pyrano[2,3-c]pyridine]-4'-ylpyridin-2-one has a molecular weight of 294.35 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[cyclohexane-1,2'-pyrano[2,3-c]pyridine]-4'-ylpyridin-2-one is sourced from PubChem (CID 23049028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).