6-amino-2,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-one

C₁₁H₁₃N₃O — CID 155892187

About 6-amino-2,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-one

6-amino-2,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-one (PubChem CID 155892187) has the molecular formula C₁₁H₁₃N₃O and a molecular weight of 203.24 g/mol. Its IUPAC name is 6-amino-2,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-one.

Molecular Properties

• Compound Name: 6-amino-2,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-one
• PubChem CID: 155892187
• Molecular Formula: C₁₁H₁₃N₃O
• Molecular Weight: 203.24 g/mol
• Exact Mass: 203.11
• IUPAC Name: 6-amino-2,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-one
• SMILES: Nc1ccc2c(c1)C1CCNC(=O)C1N2
• InChI: InChI=1S/C11H13N3O/c12-6-1-2-9-8(5-6)7-3-4-13-11(15)10(7)14-9/h1-2,5,7,10,14H,3-4,12H2,(H,13,15)
• InChIKey: XYYVIIIJNLMCKL-UHFFFAOYSA-N
• XLogP: 0.67
• TPSA: 67.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	203.24
LogP ≤ 5	0.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-one?

The IUPAC name of 6-amino-2,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-one (CID 155892187) is 6-amino-2,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-one.

What is the SMILES notation for 6-amino-2,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-one?

The canonical SMILES for 6-amino-2,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-one is Nc1ccc2c(c1)C1CCNC(=O)C1N2.

What is the InChIKey of 6-amino-2,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-one?

The InChIKey is XYYVIIIJNLMCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-6-1-2-9-8(5-6)7-3-4-13-11(15)10(7)14-9/h1-2,5,7,10,14H,3-4,12H2,(H,13,15).

What are the key properties of 6-amino-2,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-one?

6-amino-2,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-one has a molecular weight of 203.24 g/mol, XLogP of 0.67, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-1-one is sourced from PubChem (CID 155892187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155892187 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.