1-[(E)-but-2-enyl]-4-methoxyindole

C13H15NO — CID 83173712

IUPAC1-[(E)-but-2-enyl]-4-methoxyindole
SMILESC/C=C/Cn1ccc2c(OC)cccc21
InChIInChI=1S/C13H15NO/c1-3-4-9-14-10-8-11-12(14)6-5-7-13(11)15-2/h3-8,10H,9H2,1-2H3/b4-3+
InChIKeyWGFVMPOLTPNHJY-ONEGZZNKSA-N
MW201.27 g/mol
LogP3.23
Rot. Bonds3

About 1-[(E)-but-2-enyl]-4-methoxyindole

1-[(E)-but-2-enyl]-4-methoxyindole (PubChem CID 83173712) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-4-methoxyindole.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-4-methoxyindole
PubChem CID83173712
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-[(E)-but-2-enyl]-4-methoxyindole
SMILESC/C=C/Cn1ccc2c(OC)cccc21
InChIInChI=1S/C13H15NO/c1-3-4-9-14-10-8-11-12(14)6-5-7-13(11)15-2/h3-8,10H,9H2,1-2H3/b4-3+
InChIKeyWGFVMPOLTPNHJY-ONEGZZNKSA-N
XLogP3.23
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyindol-1-yl)-N,N-dimethylethanamine
CID 83173897
methyl 3-(4-methoxyindol-1-yl)propanoate
CID 83162468
1-[(E)-but-2-enyl]indole-4-carboxylic acid
CID 43316639
1-heptyl-4-methoxyindole
CID 83174164
4-(4-methoxyindol-1-yl)butanoic acid
CID 83162861
3-(4-methoxyindol-1-yl)-2-methylpropan-1-amine
CID 83163240
methyl 4-(4-methoxyindol-1-yl)butanoate
CID 83163082
3-(4-methoxyindol-1-yl)-1-phenylpropan-1-one
CID 116691996
4-methoxy-1-(2-pyrazol-1-ylethyl)indole
CID 83174518
tert-butyl 3-(4-methoxyindol-1-yl)propanoate
CID 116662779
4-methoxy-1-(3-phenoxypropyl)indole
CID 83165816
ethyl 2-(4-methoxyindol-1-yl)acetate
CID 83162389

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-4-methoxyindole?
The IUPAC name of 1-[(E)-but-2-enyl]-4-methoxyindole (CID 83173712) is 1-[(E)-but-2-enyl]-4-methoxyindole.
What is the SMILES notation for 1-[(E)-but-2-enyl]-4-methoxyindole?
The canonical SMILES for 1-[(E)-but-2-enyl]-4-methoxyindole is C/C=C/Cn1ccc2c(OC)cccc21.
What is the InChIKey of 1-[(E)-but-2-enyl]-4-methoxyindole?
The InChIKey is WGFVMPOLTPNHJY-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H15NO/c1-3-4-9-14-10-8-11-12(14)6-5-7-13(11)15-2/h3-8,10H,9H2,1-2H3/b4-3+.
What are the key properties of 1-[(E)-but-2-enyl]-4-methoxyindole?
1-[(E)-but-2-enyl]-4-methoxyindole has a molecular weight of 201.27 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-4-methoxyindole is sourced from PubChem (CID 83173712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).