6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole

C₁₉H₂₆ClN — CID 156547856

About 6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole

6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole (PubChem CID 156547856) has the molecular formula C₁₉H₂₆ClN and a molecular weight of 303.88 g/mol. Its IUPAC name is 6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole.

Molecular Properties

• Compound Name: 6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole
• PubChem CID: 156547856
• Molecular Formula: C₁₉H₂₆ClN
• Molecular Weight: 303.88 g/mol
• Exact Mass: 303.18
• IUPAC Name: 6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole
• SMILES: C=C(CC)c1cc2c(cc1Cl)C(C)(C)C(=C)N2CCCC
• InChI: InChI=1S/C19H26ClN/c1-7-9-10-21-14(4)19(5,6)16-12-17(20)15(11-18(16)21)13(3)8-2/h11-12H,3-4,7-10H2,1-2,5-6H3
• InChIKey: FKIMTACOFHCMDH-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	303.88
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole?

The IUPAC name of 6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole (CID 156547856) is 6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole.

What is the SMILES notation for 6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole?

The canonical SMILES for 6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole is C=C(CC)c1cc2c(cc1Cl)C(C)(C)C(=C)N2CCCC.

What is the InChIKey of 6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole?

The InChIKey is FKIMTACOFHCMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN/c1-7-9-10-21-14(4)19(5,6)16-12-17(20)15(11-18(16)21)13(3)8-2/h11-12H,3-4,7-10H2,1-2,5-6H3.

What are the key properties of 6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole?

6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole has a molecular weight of 303.88 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6-but-1-en-2-yl-1-butyl-5-chloro-3,3-dimethyl-2-methylideneindole is sourced from PubChem (CID 156547856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156547856 — identifiers, structure, computed properties (public domain)

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