2-hydroperoxy-1H-benzo[g]indole

C12H9NO2 — CID 155683365

IUPAC2-hydroperoxy-1H-benzo[g]indole
SMILESOOc1cc2ccc3ccccc3c2[nH]1
InChIInChI=1S/C12H9NO2/c14-15-11-7-9-6-5-8-3-1-2-4-10(8)12(9)13-11/h1-7,13-14H
InChIKeyPKFMSOYQSXQKJO-UHFFFAOYSA-N
MW199.21 g/mol
LogP3.17
Rot. Bonds1

About 2-hydroperoxy-1H-benzo[g]indole

2-hydroperoxy-1H-benzo[g]indole (PubChem CID 155683365) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-hydroperoxy-1H-benzo[g]indole.

Molecular Properties

Compound Name2-hydroperoxy-1H-benzo[g]indole
PubChem CID155683365
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name2-hydroperoxy-1H-benzo[g]indole
SMILESOOc1cc2ccc3ccccc3c2[nH]1
InChIInChI=1S/C12H9NO2/c14-15-11-7-9-6-5-8-3-1-2-4-10(8)12(9)13-11/h1-7,13-14H
InChIKeyPKFMSOYQSXQKJO-UHFFFAOYSA-N
XLogP3.17
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroperoxy-1H-benzo[g]indole?
The IUPAC name of 2-hydroperoxy-1H-benzo[g]indole (CID 155683365) is 2-hydroperoxy-1H-benzo[g]indole.
What is the SMILES notation for 2-hydroperoxy-1H-benzo[g]indole?
The canonical SMILES for 2-hydroperoxy-1H-benzo[g]indole is OOc1cc2ccc3ccccc3c2[nH]1.
What is the InChIKey of 2-hydroperoxy-1H-benzo[g]indole?
The InChIKey is PKFMSOYQSXQKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c14-15-11-7-9-6-5-8-3-1-2-4-10(8)12(9)13-11/h1-7,13-14H.
What are the key properties of 2-hydroperoxy-1H-benzo[g]indole?
2-hydroperoxy-1H-benzo[g]indole has a molecular weight of 199.21 g/mol, XLogP of 3.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxy-1H-benzo[g]indole is sourced from PubChem (CID 155683365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).