2-cyclobutylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one

C14H19N3O2 — CID 56949931

IUPAC2-cyclobutylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
SMILESO=C1CC2(CCNCC2)Oc2cn(C3CCC3)nc21
InChIInChI=1S/C14H19N3O2/c18-11-8-14(4-6-15-7-5-14)19-12-9-17(16-13(11)12)10-2-1-3-10/h9-10,15H,1-8H2
InChIKeyDXUIHZDRQXLJNW-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.70
Rot. Bonds1

About 2-cyclobutylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one

2-cyclobutylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one (PubChem CID 56949931) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-cyclobutylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name2-cyclobutylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
PubChem CID56949931
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-cyclobutylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
SMILESO=C1CC2(CCNCC2)Oc2cn(C3CCC3)nc21
InChIInChI=1S/C14H19N3O2/c18-11-8-14(4-6-15-7-5-14)19-12-9-17(16-13(11)12)10-2-1-3-10/h9-10,15H,1-8H2
InChIKeyDXUIHZDRQXLJNW-UHFFFAOYSA-N
XLogP1.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The IUPAC name of 2-cyclobutylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one (CID 56949931) is 2-cyclobutylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one.
What is the SMILES notation for 2-cyclobutylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The canonical SMILES for 2-cyclobutylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one is O=C1CC2(CCNCC2)Oc2cn(C3CCC3)nc21.
What is the InChIKey of 2-cyclobutylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The InChIKey is DXUIHZDRQXLJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-11-8-14(4-6-15-7-5-14)19-12-9-17(16-13(11)12)10-2-1-3-10/h9-10,15H,1-8H2.
What are the key properties of 2-cyclobutylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
2-cyclobutylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one has a molecular weight of 261.32 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one is sourced from PubChem (CID 56949931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).