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

C12H14N2O3 — CID 82375649

IUPAC2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-5-carbaldehyde
SMILESO=Cc1occ2c1NC1(CCCCC1)C(=O)N2
InChIInChI=1S/C12H14N2O3/c15-6-9-10-8(7-17-9)13-11(16)12(14-10)4-2-1-3-5-12/h6-7,14H,1-5H2,(H,13,16)
InChIKeyFOFJLDDAQPOVFZ-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.16
Rot. Bonds1

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

2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-5-carbaldehyde (PubChem CID 82375649) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-5-carbaldehyde.

Molecular Properties

Compound Name2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-5-carbaldehyde
PubChem CID82375649
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-5-carbaldehyde
SMILESO=Cc1occ2c1NC1(CCCCC1)C(=O)N2
InChIInChI=1S/C12H14N2O3/c15-6-9-10-8(7-17-9)13-11(16)12(14-10)4-2-1-3-5-12/h6-7,14H,1-5H2,(H,13,16)
InChIKeyFOFJLDDAQPOVFZ-UHFFFAOYSA-N
XLogP2.16
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-5-carbaldehyde?
The IUPAC name of 2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-5-carbaldehyde (CID 82375649) is 2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-5-carbaldehyde.
What is the SMILES notation for 2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-5-carbaldehyde?
The canonical SMILES for 2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-5-carbaldehyde is O=Cc1occ2c1NC1(CCCCC1)C(=O)N2.
What is the InChIKey of 2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-5-carbaldehyde?
The InChIKey is FOFJLDDAQPOVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-6-9-10-8(7-17-9)13-11(16)12(14-10)4-2-1-3-5-12/h6-7,14H,1-5H2,(H,13,16).
What are the key properties of 2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-5-carbaldehyde?
2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-5-carbaldehyde has a molecular weight of 234.25 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,1'-cyclohexane]-5-carbaldehyde is sourced from PubChem (CID 82375649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).