2-Ethenyl-2-pentylindole

C15H19N — CID 174610229

IUPAC2-ethenyl-2-pentylindole
SMILESCCCCCC1(C=C2C=CC=CC2=N1)C=C
InChIInChI=1S/C15H19N/c1-3-5-8-11-15(4-2)12-13-9-6-7-10-14(13)16-15/h4,6-7,9-10,12H,2-3,5,8,11H2,1H3
InChIKeyAWTKXHWXSYAEJN-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.30
Rot. Bonds5

About 2-Ethenyl-2-pentylindole

2-Ethenyl-2-pentylindole (PubChem CID 174610229) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-ethenyl-2-pentylindole.

Molecular Properties

Compound Name2-Ethenyl-2-pentylindole
PubChem CID174610229
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name2-ethenyl-2-pentylindole
SMILESCCCCCC1(C=C2C=CC=CC2=N1)C=C
InChIInChI=1S/C15H19N/c1-3-5-8-11-15(4-2)12-13-9-6-7-10-14(13)16-15/h4,6-7,9-10,12H,2-3,5,8,11H2,1H3
InChIKeyAWTKXHWXSYAEJN-UHFFFAOYSA-N
XLogP4.30
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity396

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.30
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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Related Compounds

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2-Pentyl-2-[(2-pentylindol-2-yl)methyl]indole
CID 54450734
2,2-dimethyl-6-phenyl-4,5-dihydro-3H-pyridine;iridium
CID 58983036
Spiro[cyclohexane-1,2'-indole]
CID 66668100
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Frequently Asked Questions

What is the IUPAC name of 2-Ethenyl-2-pentylindole?
The IUPAC name of 2-Ethenyl-2-pentylindole (CID 174610229) is 2-ethenyl-2-pentylindole.
What is the SMILES notation for 2-Ethenyl-2-pentylindole?
The canonical SMILES for 2-Ethenyl-2-pentylindole is CCCCCC1(C=C2C=CC=CC2=N1)C=C.
What is the InChIKey of 2-Ethenyl-2-pentylindole?
The InChIKey is AWTKXHWXSYAEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-3-5-8-11-15(4-2)12-13-9-6-7-10-14(13)16-15/h4,6-7,9-10,12H,2-3,5,8,11H2,1H3.
What are the key properties of 2-Ethenyl-2-pentylindole?
2-Ethenyl-2-pentylindole has a molecular weight of 213.32 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Ethenyl-2-pentylindole is sourced from PubChem (CID 174610229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).