3-(5-methylhex-5-enyl)-3H-indole

C15H19N — CID 141290222

IUPAC3-(5-methylhex-5-enyl)-3H-indole
SMILESC=C(C)CCCCC1C=Nc2ccccc21
InChIInChI=1S/C15H19N/c1-12(2)7-3-4-8-13-11-16-15-10-6-5-9-14(13)15/h5-6,9-11,13H,1,3-4,7-8H2,2H3
InChIKeyXLFXPVUUFHUGLR-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.62
Rot. Bonds5

About 3-(5-methylhex-5-enyl)-3H-indole

3-(5-methylhex-5-enyl)-3H-indole (PubChem CID 141290222) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(5-methylhex-5-enyl)-3H-indole.

Molecular Properties

Compound Name3-(5-methylhex-5-enyl)-3H-indole
PubChem CID141290222
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name3-(5-methylhex-5-enyl)-3H-indole
SMILESC=C(C)CCCCC1C=Nc2ccccc21
InChIInChI=1S/C15H19N/c1-12(2)7-3-4-8-13-11-16-15-10-6-5-9-14(13)15/h5-6,9-11,13H,1,3-4,7-8H2,2H3
InChIKeyXLFXPVUUFHUGLR-UHFFFAOYSA-N
XLogP4.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylhex-5-enyl)-3H-indole?
The IUPAC name of 3-(5-methylhex-5-enyl)-3H-indole (CID 141290222) is 3-(5-methylhex-5-enyl)-3H-indole.
What is the SMILES notation for 3-(5-methylhex-5-enyl)-3H-indole?
The canonical SMILES for 3-(5-methylhex-5-enyl)-3H-indole is C=C(C)CCCCC1C=Nc2ccccc21.
What is the InChIKey of 3-(5-methylhex-5-enyl)-3H-indole?
The InChIKey is XLFXPVUUFHUGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-12(2)7-3-4-8-13-11-16-15-10-6-5-9-14(13)15/h5-6,9-11,13H,1,3-4,7-8H2,2H3.
What are the key properties of 3-(5-methylhex-5-enyl)-3H-indole?
3-(5-methylhex-5-enyl)-3H-indole has a molecular weight of 213.32 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylhex-5-enyl)-3H-indole is sourced from PubChem (CID 141290222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).