3-[2-[(E)-prop-1-enoxy]ethyl]-1H-indole

C13H15NO — CID 102132135

IUPAC3-[2-[(E)-prop-1-enoxy]ethyl]-1H-indole
SMILESC/C=C/OCCc1c[nH]c2ccccc12
InChIInChI=1S/C13H15NO/c1-2-8-15-9-7-11-10-14-13-6-4-3-5-12(11)13/h2-6,8,10,14H,7,9H2,1H3/b8-2+
InChIKeyIOWHBLDPDMJLJZ-KRXBUXKQSA-N
MW201.27 g/mol
LogP3.26
Rot. Bonds4

About 3-[2-[(E)-prop-1-enoxy]ethyl]-1H-indole

3-[2-[(E)-prop-1-enoxy]ethyl]-1H-indole (PubChem CID 102132135) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[2-[(E)-prop-1-enoxy]ethyl]-1H-indole.

Molecular Properties

Compound Name3-[2-[(E)-prop-1-enoxy]ethyl]-1H-indole
PubChem CID102132135
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-[2-[(E)-prop-1-enoxy]ethyl]-1H-indole
SMILESC/C=C/OCCc1c[nH]c2ccccc12
InChIInChI=1S/C13H15NO/c1-2-8-15-9-7-11-10-14-13-6-4-3-5-12(11)13/h2-6,8,10,14H,7,9H2,1H3/b8-2+
InChIKeyIOWHBLDPDMJLJZ-KRXBUXKQSA-N
XLogP3.26
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(methoxymethoxy)ethyl]-1H-indole
CID 15147146
(E)-N-[2-(1H-indol-3-yl)ethyl]prop-1-en-1-amine
CID 118478788
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
hydroxy-[2-(1H-indol-3-yl)ethoxy]-oxoazanium
CID 165088178
3-but-3-enyl-1H-indole
CID 57142098
3-heptyl-1H-indole
CID 15360907
2-(1H-indol-3-yl)ethanamine;methyl hypoiodite
CID 143451156
2-(1H-indol-3-yl)-N,N-dimethoxyethanamine
CID 87617375
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
3-(4,4-dimethylpentyl)-1H-indole
CID 58756842
3-ethyl-1H-indole;methanamine
CID 142222050
3-(1H-indol-3-yl)propylazanium chloride
CID 28988

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(E)-prop-1-enoxy]ethyl]-1H-indole?
The IUPAC name of 3-[2-[(E)-prop-1-enoxy]ethyl]-1H-indole (CID 102132135) is 3-[2-[(E)-prop-1-enoxy]ethyl]-1H-indole.
What is the SMILES notation for 3-[2-[(E)-prop-1-enoxy]ethyl]-1H-indole?
The canonical SMILES for 3-[2-[(E)-prop-1-enoxy]ethyl]-1H-indole is C/C=C/OCCc1c[nH]c2ccccc12.
What is the InChIKey of 3-[2-[(E)-prop-1-enoxy]ethyl]-1H-indole?
The InChIKey is IOWHBLDPDMJLJZ-KRXBUXKQSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-8-15-9-7-11-10-14-13-6-4-3-5-12(11)13/h2-6,8,10,14H,7,9H2,1H3/b8-2+.
What are the key properties of 3-[2-[(E)-prop-1-enoxy]ethyl]-1H-indole?
3-[2-[(E)-prop-1-enoxy]ethyl]-1H-indole has a molecular weight of 201.27 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(E)-prop-1-enoxy]ethyl]-1H-indole is sourced from PubChem (CID 102132135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).