3-(1H-indol-3-yl)propanoyloxidanium

C11H12NO2+ — CID 142492757

IUPAC3-(1H-indol-3-yl)propanoyloxidanium
SMILESO=C([OH2+])CCc1c[nH]c2ccccc12
InChIInChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)/p+1
InChIKeyGOLXRNDWAUTYKT-UHFFFAOYSA-O
MW190.22 g/mol
LogP1.35
Rot. Bonds3

About 3-(1H-indol-3-yl)propanoyloxidanium

3-(1H-indol-3-yl)propanoyloxidanium (PubChem CID 142492757) has the molecular formula C11H12NO2+ and a molecular weight of 190.22 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)propanoyloxidanium.

Molecular Properties

Compound Name3-(1H-indol-3-yl)propanoyloxidanium
PubChem CID142492757
Molecular FormulaC11H12NO2+
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name3-(1H-indol-3-yl)propanoyloxidanium
SMILESO=C([OH2+])CCc1c[nH]c2ccccc12
InChIInChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)/p+1
InChIKeyGOLXRNDWAUTYKT-UHFFFAOYSA-O
XLogP1.35
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-indol-3-yl)-4-methylpentan-3-one
CID 154964513
1-(1H-indol-3-yl)hexan-3-one
CID 166814803
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
4-(1H-indol-3-yl)butanamide
CID 588715
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-(1H-indol-3-yl)propanethioamide
CID 3979253
disodium;hydride;4-(1H-indol-3-yl)butanoic acid
CID 174726095
1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione
CID 58248576
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol
CID 157231418
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
6-(1H-indol-3-yl)hexan-3-one
CID 58575746

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)propanoyloxidanium?
The IUPAC name of 3-(1H-indol-3-yl)propanoyloxidanium (CID 142492757) is 3-(1H-indol-3-yl)propanoyloxidanium.
What is the SMILES notation for 3-(1H-indol-3-yl)propanoyloxidanium?
The canonical SMILES for 3-(1H-indol-3-yl)propanoyloxidanium is O=C([OH2+])CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)propanoyloxidanium?
The InChIKey is GOLXRNDWAUTYKT-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)/p+1.
What are the key properties of 3-(1H-indol-3-yl)propanoyloxidanium?
3-(1H-indol-3-yl)propanoyloxidanium has a molecular weight of 190.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)propanoyloxidanium is sourced from PubChem (CID 142492757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).