5-pent-4-ynoxy-1H-indole

C13H13NO — CID 112548784

IUPAC5-pent-4-ynoxy-1H-indole
SMILESC#CCCCOc1ccc2[nH]ccc2c1
InChIInChI=1S/C13H13NO/c1-2-3-4-9-15-12-5-6-13-11(10-12)7-8-14-13/h1,5-8,10,14H,3-4,9H2
InChIKeyIJSNCJLJTMCIGN-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.96
Rot. Bonds4

About 5-pent-4-ynoxy-1H-indole

5-pent-4-ynoxy-1H-indole (PubChem CID 112548784) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 5-pent-4-ynoxy-1H-indole.

Molecular Properties

Compound Name5-pent-4-ynoxy-1H-indole
PubChem CID112548784
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name5-pent-4-ynoxy-1H-indole
SMILESC#CCCCOc1ccc2[nH]ccc2c1
InChIInChI=1S/C13H13NO/c1-2-3-4-9-15-12-5-6-13-11(10-12)7-8-14-13/h1,5-8,10,14H,3-4,9H2
InChIKeyIJSNCJLJTMCIGN-UHFFFAOYSA-N
XLogP2.96
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-indol-5-yloxy)propan-1-amine
CID 84662713
5-heptoxy-1H-indole
CID 80642434
2-(1H-indol-5-yloxy)ethanamine
CID 84655544
5-[2-(4-bromophenoxy)ethoxy]-1H-indole
CID 80640825
5-(2-ethylsulfanylethoxy)-1H-indole
CID 115967778
5-(2-pyridin-4-ylethoxy)-1H-indole
CID 80643578
1-pent-4-ynoxy-4-(4-pent-4-ynoxyphenyl)benzene
CID 71601135
5-(2-methylprop-2-enoxy)-1H-indole
CID 80641089
4-(1H-indol-5-yloxymethyl)phenol
CID 80641928
N-(1H-indol-5-ylmethyl)pent-4-yn-1-amine
CID 106220402
5-[2-(oxolan-2-yl)ethoxy]-1H-indole
CID 80643511
2-chloro-4-pent-4-ynoxybenzonitrile
CID 102674687

Frequently Asked Questions

What is the IUPAC name of 5-pent-4-ynoxy-1H-indole?
The IUPAC name of 5-pent-4-ynoxy-1H-indole (CID 112548784) is 5-pent-4-ynoxy-1H-indole.
What is the SMILES notation for 5-pent-4-ynoxy-1H-indole?
The canonical SMILES for 5-pent-4-ynoxy-1H-indole is C#CCCCOc1ccc2[nH]ccc2c1.
What is the InChIKey of 5-pent-4-ynoxy-1H-indole?
The InChIKey is IJSNCJLJTMCIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-2-3-4-9-15-12-5-6-13-11(10-12)7-8-14-13/h1,5-8,10,14H,3-4,9H2.
What are the key properties of 5-pent-4-ynoxy-1H-indole?
5-pent-4-ynoxy-1H-indole has a molecular weight of 199.25 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pent-4-ynoxy-1H-indole is sourced from PubChem (CID 112548784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).