3-hydroperoxy-2,3-dihydro-1H-indole

C8H9NO2 — CID 119084044

IUPAC3-hydroperoxy-2,3-dihydro-1H-indole
SMILESOOC1CNc2ccccc21
InChIInChI=1S/C8H9NO2/c10-11-8-5-9-7-4-2-1-3-6(7)8/h1-4,8-10H,5H2
InChIKeyGBZYDAAYOOFMTB-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.64
Rot. Bonds1

About 3-hydroperoxy-2,3-dihydro-1H-indole

3-hydroperoxy-2,3-dihydro-1H-indole (PubChem CID 119084044) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 3-hydroperoxy-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-hydroperoxy-2,3-dihydro-1H-indole
PubChem CID119084044
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name3-hydroperoxy-2,3-dihydro-1H-indole
SMILESOOC1CNc2ccccc21
InChIInChI=1S/C8H9NO2/c10-11-8-5-9-7-4-2-1-3-6(7)8/h1-4,8-10H,5H2
InChIKeyGBZYDAAYOOFMTB-UHFFFAOYSA-N
XLogP1.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1H-indol-3-yl carbamate
CID 91259921
(3R)-2,3-dihydro-1H-indol-3-ol
CID 67667878
methyl 2,3-dihydro-1H-indole-3-carboxylate
CID 45073772
4-methoxy-1,2,3,4-tetrahydroquinoline
CID 82275496
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
8-azatricyclo[8.2.2.02,7]tetradeca-2,4,6-triene
CID 154876558
2,3-dihydro-1H-indol-3-yl(trimethyl)azanium
CID 174459262
(4bR,10bR)-4b,5,6,10b,11,12-hexahydroisoquinolino[4,3-c]quinoline
CID 15939421
3-(2-methoxyprop-2-enyl)-2,3-dihydro-1H-indole
CID 145312543
2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetaldehyde;hydrobromide
CID 174877397
N-(cyclopropylmethyl)-2,3-dihydro-1H-indol-3-amine
CID 76853849
4-(2,3-dihydro-1H-indol-3-ylmethoxy)phenol
CID 115104056

Frequently Asked Questions

What is the IUPAC name of 3-hydroperoxy-2,3-dihydro-1H-indole?
The IUPAC name of 3-hydroperoxy-2,3-dihydro-1H-indole (CID 119084044) is 3-hydroperoxy-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-hydroperoxy-2,3-dihydro-1H-indole?
The canonical SMILES for 3-hydroperoxy-2,3-dihydro-1H-indole is OOC1CNc2ccccc21.
What is the InChIKey of 3-hydroperoxy-2,3-dihydro-1H-indole?
The InChIKey is GBZYDAAYOOFMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c10-11-8-5-9-7-4-2-1-3-6(7)8/h1-4,8-10H,5H2.
What are the key properties of 3-hydroperoxy-2,3-dihydro-1H-indole?
3-hydroperoxy-2,3-dihydro-1H-indole has a molecular weight of 151.16 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroperoxy-2,3-dihydro-1H-indole is sourced from PubChem (CID 119084044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).