Tetrahydroindenoindole

C₁₅H₁₃N — CID 87216495

About Tetrahydroindenoindole

Tetrahydroindenoindole (PubChem CID 87216495) has the molecular formula C₁₅H₁₃N and a molecular weight of 207.28 g/mol. Its IUPAC name is 1,2,3,3a-tetrahydroindeno[1,2-g]indole.

Molecular Properties

• Compound Name: Tetrahydroindenoindole
• PubChem CID: 87216495
• Molecular Formula: C₁₅H₁₃N
• Molecular Weight: 207.28 g/mol
• Exact Mass: 207.10
• IUPAC Name: 1,2,3,3a-tetrahydroindeno[1,2-g]indole
• SMILES: C1=CC2CCNC2=C2C=c3ccccc3=C12
• InChI: InChI=1S/C15H13N/c1-2-4-12-11(3-1)9-14-13(12)6-5-10-7-8-16-15(10)14/h1-6,9-10,16H,7-8H2
• InChIKey: VMMUGOUUBVDDPV-UHFFFAOYSA-N
• XLogP: 1.06
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	207.28
LogP ≤ 5	1.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of Tetrahydroindenoindole?

The IUPAC name of Tetrahydroindenoindole (CID 87216495) is 1,2,3,3a-tetrahydroindeno[1,2-g]indole.

What is the SMILES notation for Tetrahydroindenoindole?

The canonical SMILES for Tetrahydroindenoindole is C1=CC2CCNC2=C2C=c3ccccc3=C12.

What is the InChIKey of Tetrahydroindenoindole?

The InChIKey is VMMUGOUUBVDDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-2-4-12-11(3-1)9-14-13(12)6-5-10-7-8-16-15(10)14/h1-6,9-10,16H,7-8H2.

What are the key properties of Tetrahydroindenoindole?

Tetrahydroindenoindole has a molecular weight of 207.28 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Tetrahydroindenoindole is sourced from PubChem (CID 87216495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 87216495 — identifiers, structure, computed properties (public domain)

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