6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole

C₁₄H₁₆ClN — CID 176612520

About 6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole

6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole (PubChem CID 176612520) has the molecular formula C₁₄H₁₆ClN and a molecular weight of 233.74 g/mol. Its IUPAC name is 6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole.

Molecular Properties

• Compound Name: 6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole
• PubChem CID: 176612520
• Molecular Formula: C₁₄H₁₆ClN
• Molecular Weight: 233.74 g/mol
• Exact Mass: 233.10
• IUPAC Name: 6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole
• SMILES: CC(C)c1c(C2CC2)c(Cl)cc2[nH]ccc12
• InChI: InChI=1S/C14H16ClN/c1-8(2)13-10-5-6-16-12(10)7-11(15)14(13)9-3-4-9/h5-9,16H,3-4H2,1-2H3
• InChIKey: DJWQURGFQSNLBE-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 15.79 Ų
• H-Bond Donors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	233.74
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole?

The IUPAC name of 6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole (CID 176612520) is 6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole.

What is the SMILES notation for 6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole?

The canonical SMILES for 6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole is CC(C)c1c(C2CC2)c(Cl)cc2[nH]ccc12.

What is the InChIKey of 6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole?

The InChIKey is DJWQURGFQSNLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN/c1-8(2)13-10-5-6-16-12(10)7-11(15)14(13)9-3-4-9/h5-9,16H,3-4H2,1-2H3.

What are the key properties of 6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole?

6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole has a molecular weight of 233.74 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-5-cyclopropyl-4-propan-2-yl-1H-indole is sourced from PubChem (CID 176612520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 176612520 — identifiers, structure, computed properties (public domain)

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