6-methyl-2-oxospiro[1,4-dihydropyrrolo[3,4-b]pyrazine-3,1'-cyclohexane]-7-carbaldehyde

C13H17N3O2 — CID 82375769

IUPAC6-methyl-2-oxospiro[1,4-dihydropyrrolo[3,4-b]pyrazine-3,1'-cyclohexane]-7-carbaldehyde
SMILESCn1cc2c(c1C=O)NC(=O)C1(CCCCC1)N2
InChIInChI=1S/C13H17N3O2/c1-16-7-9-11(10(16)8-17)14-12(18)13(15-9)5-3-2-4-6-13/h7-8,15H,2-6H2,1H3,(H,14,18)
InChIKeyQDDMAOPYASJNHU-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.90
Rot. Bonds1

About 6-methyl-2-oxospiro[1,4-dihydropyrrolo[3,4-b]pyrazine-3,1'-cyclohexane]-7-carbaldehyde

6-methyl-2-oxospiro[1,4-dihydropyrrolo[3,4-b]pyrazine-3,1'-cyclohexane]-7-carbaldehyde (PubChem CID 82375769) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-methyl-2-oxospiro[1,4-dihydropyrrolo[3,4-b]pyrazine-3,1'-cyclohexane]-7-carbaldehyde.

Molecular Properties

Compound Name6-methyl-2-oxospiro[1,4-dihydropyrrolo[3,4-b]pyrazine-3,1'-cyclohexane]-7-carbaldehyde
PubChem CID82375769
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name6-methyl-2-oxospiro[1,4-dihydropyrrolo[3,4-b]pyrazine-3,1'-cyclohexane]-7-carbaldehyde
SMILESCn1cc2c(c1C=O)NC(=O)C1(CCCCC1)N2
InChIInChI=1S/C13H17N3O2/c1-16-7-9-11(10(16)8-17)14-12(18)13(15-9)5-3-2-4-6-13/h7-8,15H,2-6H2,1H3,(H,14,18)
InChIKeyQDDMAOPYASJNHU-UHFFFAOYSA-N
XLogP1.90
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.90
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 6-methyl-2-oxospiro[1,4-dihydropyrrolo[3,4-b]pyrazine-3,1'-cyclohexane]-7-carbaldehyde?
The IUPAC name of 6-methyl-2-oxospiro[1,4-dihydropyrrolo[3,4-b]pyrazine-3,1'-cyclohexane]-7-carbaldehyde (CID 82375769) is 6-methyl-2-oxospiro[1,4-dihydropyrrolo[3,4-b]pyrazine-3,1'-cyclohexane]-7-carbaldehyde.
What is the SMILES notation for 6-methyl-2-oxospiro[1,4-dihydropyrrolo[3,4-b]pyrazine-3,1'-cyclohexane]-7-carbaldehyde?
The canonical SMILES for 6-methyl-2-oxospiro[1,4-dihydropyrrolo[3,4-b]pyrazine-3,1'-cyclohexane]-7-carbaldehyde is Cn1cc2c(c1C=O)NC(=O)C1(CCCCC1)N2.
What is the InChIKey of 6-methyl-2-oxospiro[1,4-dihydropyrrolo[3,4-b]pyrazine-3,1'-cyclohexane]-7-carbaldehyde?
The InChIKey is QDDMAOPYASJNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16-7-9-11(10(16)8-17)14-12(18)13(15-9)5-3-2-4-6-13/h7-8,15H,2-6H2,1H3,(H,14,18).
What are the key properties of 6-methyl-2-oxospiro[1,4-dihydropyrrolo[3,4-b]pyrazine-3,1'-cyclohexane]-7-carbaldehyde?
6-methyl-2-oxospiro[1,4-dihydropyrrolo[3,4-b]pyrazine-3,1'-cyclohexane]-7-carbaldehyde has a molecular weight of 247.30 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxospiro[1,4-dihydropyrrolo[3,4-b]pyrazine-3,1'-cyclohexane]-7-carbaldehyde is sourced from PubChem (CID 82375769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).