1'-methyl-2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-5-carbaldehyde

C12H15N3O3 — CID 82375650

IUPAC1'-methyl-2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-5-carbaldehyde
SMILESCN1CCC2(CC1)Nc1c(coc1C=O)NC2=O
InChIInChI=1S/C12H15N3O3/c1-15-4-2-12(3-5-15)11(17)13-8-7-18-9(6-16)10(8)14-12/h6-7,14H,2-5H2,1H3,(H,13,17)
InChIKeyOYDSWVAITBBHEH-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.92
Rot. Bonds1

About 1'-methyl-2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-5-carbaldehyde

1'-methyl-2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-5-carbaldehyde (PubChem CID 82375650) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1'-methyl-2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-5-carbaldehyde.

Molecular Properties

Compound Name1'-methyl-2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-5-carbaldehyde
PubChem CID82375650
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1'-methyl-2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-5-carbaldehyde
SMILESCN1CCC2(CC1)Nc1c(coc1C=O)NC2=O
InChIInChI=1S/C12H15N3O3/c1-15-4-2-12(3-5-15)11(17)13-8-7-18-9(6-16)10(8)14-12/h6-7,14H,2-5H2,1H3,(H,13,17)
InChIKeyOYDSWVAITBBHEH-UHFFFAOYSA-N
XLogP0.92
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1'-methyl-2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-5-carbaldehyde?
The IUPAC name of 1'-methyl-2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-5-carbaldehyde (CID 82375650) is 1'-methyl-2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-5-carbaldehyde.
What is the SMILES notation for 1'-methyl-2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-5-carbaldehyde?
The canonical SMILES for 1'-methyl-2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-5-carbaldehyde is CN1CCC2(CC1)Nc1c(coc1C=O)NC2=O.
What is the InChIKey of 1'-methyl-2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-5-carbaldehyde?
The InChIKey is OYDSWVAITBBHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-15-4-2-12(3-5-15)11(17)13-8-7-18-9(6-16)10(8)14-12/h6-7,14H,2-5H2,1H3,(H,13,17).
What are the key properties of 1'-methyl-2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-5-carbaldehyde?
1'-methyl-2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-5-carbaldehyde has a molecular weight of 249.27 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-5-carbaldehyde is sourced from PubChem (CID 82375650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).