3-methyl-3aH-indole

C₉H₉N — CID 89410881

About 3-methyl-3aH-indole

3-methyl-3aH-indole (PubChem CID 89410881) has the molecular formula C₉H₉N and a molecular weight of 131.18 g/mol. Its IUPAC name is 3-methyl-3aH-indole.

Molecular Properties

• Compound Name: 3-methyl-3aH-indole
• PubChem CID: 89410881
• Molecular Formula: C₉H₉N
• Molecular Weight: 131.18 g/mol
• Exact Mass: 131.07
• IUPAC Name: 3-methyl-3aH-indole
• SMILES: CC1=CN=C2C=CC=CC12
• InChI: InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,8H,1H3
• InChIKey: HNJKEWWHWGKPOZ-UHFFFAOYSA-N
• XLogP: 2.09
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	131.18
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3aH-indole?

The IUPAC name of 3-methyl-3aH-indole (CID 89410881) is 3-methyl-3aH-indole.

What is the SMILES notation for 3-methyl-3aH-indole?

The canonical SMILES for 3-methyl-3aH-indole is CC1=CN=C2C=CC=CC12.

What is the InChIKey of 3-methyl-3aH-indole?

The InChIKey is HNJKEWWHWGKPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,8H,1H3.

What are the key properties of 3-methyl-3aH-indole?

3-methyl-3aH-indole has a molecular weight of 131.18 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-3aH-indole is sourced from PubChem (CID 89410881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 89410881 — identifiers, structure, computed properties (public domain)

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