1-but-2-enyl-3-ethenylindole

C14H15N — CID 90833476

IUPAC1-but-2-enyl-3-ethenylindole
SMILESC=Cc1cn(CC=CC)c2ccccc12
InChIInChI=1S/C14H15N/c1-3-5-10-15-11-12(4-2)13-8-6-7-9-14(13)15/h3-9,11H,2,10H2,1H3
InChIKeyXXKUAGWXXIBNOK-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.86
Rot. Bonds3

About 1-but-2-enyl-3-ethenylindole

1-but-2-enyl-3-ethenylindole (PubChem CID 90833476) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-but-2-enyl-3-ethenylindole.

Molecular Properties

Compound Name1-but-2-enyl-3-ethenylindole
PubChem CID90833476
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name1-but-2-enyl-3-ethenylindole
SMILESC=Cc1cn(CC=CC)c2ccccc12
InChIInChI=1S/C14H15N/c1-3-5-10-15-11-12(4-2)13-8-6-7-9-14(13)15/h3-9,11H,2,10H2,1H3
InChIKeyXXKUAGWXXIBNOK-UHFFFAOYSA-N
XLogP3.86
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-but-2-enylpyrrolo[2,3-b]pyridine-3-carbaldehyde
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2-(1-prop-2-enylindol-3-yl)ethanamine
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1-[(2E)-3,7-dimethylocta-2,6-dienyl]indole-3-carbaldehyde
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(5E)-5-[(1-prop-2-enylindol-3-yl)methylidene]imidazolidine-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of 1-but-2-enyl-3-ethenylindole?
The IUPAC name of 1-but-2-enyl-3-ethenylindole (CID 90833476) is 1-but-2-enyl-3-ethenylindole.
What is the SMILES notation for 1-but-2-enyl-3-ethenylindole?
The canonical SMILES for 1-but-2-enyl-3-ethenylindole is C=Cc1cn(CC=CC)c2ccccc12.
What is the InChIKey of 1-but-2-enyl-3-ethenylindole?
The InChIKey is XXKUAGWXXIBNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-3-5-10-15-11-12(4-2)13-8-6-7-9-14(13)15/h3-9,11H,2,10H2,1H3.
What are the key properties of 1-but-2-enyl-3-ethenylindole?
1-but-2-enyl-3-ethenylindole has a molecular weight of 197.28 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enyl-3-ethenylindole is sourced from PubChem (CID 90833476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).