1-butyl-4-ethenylindole

C14H17N — CID 178203194

IUPAC1-butyl-4-ethenylindole
SMILESC=Cc1cccc2c1ccn2CCCC
InChIInChI=1S/C14H17N/c1-3-5-10-15-11-9-13-12(4-2)7-6-8-14(13)15/h4,6-9,11H,2-3,5,10H2,1H3
InChIKeyUBIBOSFAHBODJD-UHFFFAOYSA-N
MW199.30 g/mol
LogP4.08
Rot. Bonds4

About 1-butyl-4-ethenylindole

1-butyl-4-ethenylindole (PubChem CID 178203194) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-butyl-4-ethenylindole.

Molecular Properties

Compound Name1-butyl-4-ethenylindole
PubChem CID178203194
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name1-butyl-4-ethenylindole
SMILESC=Cc1cccc2c1ccn2CCCC
InChIInChI=1S/C14H17N/c1-3-5-10-15-11-9-13-12(4-2)7-6-8-14(13)15/h4,6-9,11H,2-3,5,10H2,1H3
InChIKeyUBIBOSFAHBODJD-UHFFFAOYSA-N
XLogP4.08
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethenyl-1-hexylindole
CID 141093384
1-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
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1-heptyl-4-methoxyindole
CID 83174164
6,18-di(tridecyl)-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 144783644
6,18-di(undecyl)-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 144783653
6,18-diheptyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 144783572
1-ethenyl-9-heptylcarbazole
CID 162355776
1-hexyl-N'-hydroxyindole-4-carboximidamide
CID 107919489
3-(4-fluoroindol-1-yl)-N-propylpropan-1-amine
CID 82791789
N-[2-(4-fluoroindol-1-yl)ethyl]butan-1-amine
CID 82791993
3-(4-propoxyindol-1-yl)propan-1-amine
CID 83163339
N-ethyl-3-(4-methylindol-1-yl)propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-ethenylindole?
The IUPAC name of 1-butyl-4-ethenylindole (CID 178203194) is 1-butyl-4-ethenylindole.
What is the SMILES notation for 1-butyl-4-ethenylindole?
The canonical SMILES for 1-butyl-4-ethenylindole is C=Cc1cccc2c1ccn2CCCC.
What is the InChIKey of 1-butyl-4-ethenylindole?
The InChIKey is UBIBOSFAHBODJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-3-5-10-15-11-9-13-12(4-2)7-6-8-14(13)15/h4,6-9,11H,2-3,5,10H2,1H3.
What are the key properties of 1-butyl-4-ethenylindole?
1-butyl-4-ethenylindole has a molecular weight of 199.30 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-ethenylindole is sourced from PubChem (CID 178203194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).