1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carbaldehyde;N-methyl-1-pyridin-2-ylmethanamine

C26H25N3O5 — CID 143977173

About 1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carbaldehyde;N-methyl-1-pyridin-2-ylmethanamine

1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carbaldehyde;N-methyl-1-pyridin-2-ylmethanamine (PubChem CID 143977173) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is 1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carbaldehyde;N-methyl-1-pyridin-2-ylmethanamine.

Molecular Properties

• Compound Name: 1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carbaldehyde;N-methyl-1-pyridin-2-ylmethanamine
• PubChem CID: 143977173
• Molecular Formula: C26H25N3O5
• Molecular Weight: 459.50 g/mol
• Exact Mass: 459.18
• IUPAC Name: 1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carbaldehyde;N-methyl-1-pyridin-2-ylmethanamine
• SMILES: CN1C(=O)C2(COc3cc4c(cc32)OCCO4)c2c(C=O)cccc21.CNCc1ccccn1
• InChI: InChI=1S/C19H15NO5.C7H10N2/c1-20-13-4-2-3-11(9-21)17(13)19(18(20)22)10-25-14-8-16-15(7-12(14)19)23-5-6-24-16;1-8-6-7-4-2-3-5-9-7/h2-4,7-9H,5-6,10H2,1H3;2-5,8H,6H2,1H3
• InChIKey: JBWIPPLSLPATHA-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 89.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.50
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carbaldehyde;N-methyl-1-pyridin-2-ylmethanamine?

The IUPAC name of 1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carbaldehyde;N-methyl-1-pyridin-2-ylmethanamine (CID 143977173) is 1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carbaldehyde;N-methyl-1-pyridin-2-ylmethanamine.

What is the SMILES notation for 1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carbaldehyde;N-methyl-1-pyridin-2-ylmethanamine?

The canonical SMILES for 1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carbaldehyde;N-methyl-1-pyridin-2-ylmethanamine is CN1C(=O)C2(COc3cc4c(cc32)OCCO4)c2c(C=O)cccc21.CNCc1ccccn1.

What is the InChIKey of 1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carbaldehyde;N-methyl-1-pyridin-2-ylmethanamine?

The InChIKey is JBWIPPLSLPATHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5.C7H10N2/c1-20-13-4-2-3-11(9-21)17(13)19(18(20)22)10-25-14-8-16-15(7-12(14)19)23-5-6-24-16;1-8-6-7-4-2-3-5-9-7/h2-4,7-9H,5-6,10H2,1H3;2-5,8H,6H2,1H3.

What are the key properties of 1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carbaldehyde;N-methyl-1-pyridin-2-ylmethanamine?

1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carbaldehyde;N-methyl-1-pyridin-2-ylmethanamine has a molecular weight of 459.50 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carbaldehyde;N-methyl-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 143977173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).