spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one

C11H19N3O — CID 86820572

IUPACspiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one
SMILESO=C1NCCN2CC3(CCNCC3)CC12
InChIInChI=1S/C11H19N3O/c15-10-9-7-11(1-3-12-4-2-11)8-14(9)6-5-13-10/h9,12H,1-8H2,(H,13,15)
InChIKeyQWZYNIWOYLOUFD-UHFFFAOYSA-N
MW209.29 g/mol
LogP-0.44
Rot. Bonds

About spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one

spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one (PubChem CID 86820572) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one.

Molecular Properties

Compound Namespiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one
PubChem CID86820572
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Namespiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one
SMILESO=C1NCCN2CC3(CCNCC3)CC12
InChIInChI=1S/C11H19N3O/c15-10-9-7-11(1-3-12-4-2-11)8-14(9)6-5-13-10/h9,12H,1-8H2,(H,13,15)
InChIKeyQWZYNIWOYLOUFD-UHFFFAOYSA-N
XLogP-0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one?
The IUPAC name of spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one (CID 86820572) is spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one.
What is the SMILES notation for spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one?
The canonical SMILES for spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one is O=C1NCCN2CC3(CCNCC3)CC12.
What is the InChIKey of spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one?
The InChIKey is QWZYNIWOYLOUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c15-10-9-7-11(1-3-12-4-2-11)8-14(9)6-5-13-10/h9,12H,1-8H2,(H,13,15).
What are the key properties of spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one?
spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one has a molecular weight of 209.29 g/mol, XLogP of -0.44, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one is sourced from PubChem (CID 86820572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).