N-hydroperoxy-4-methoxy-1H-indol-2-amine

C9H10N2O3 — CID 142093209

IUPACN-hydroperoxy-4-methoxy-1H-indol-2-amine
SMILESCOc1cccc2[nH]c(NOO)cc12
InChIInChI=1S/C9H10N2O3/c1-13-8-4-2-3-7-6(8)5-9(10-7)11-14-12/h2-5,10-12H,1H3
InChIKeyCQOLTVWJIMQTLF-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.99
Rot. Bonds3

About N-hydroperoxy-4-methoxy-1H-indol-2-amine

N-hydroperoxy-4-methoxy-1H-indol-2-amine (PubChem CID 142093209) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is N-hydroperoxy-4-methoxy-1H-indol-2-amine.

Molecular Properties

Compound NameN-hydroperoxy-4-methoxy-1H-indol-2-amine
PubChem CID142093209
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC NameN-hydroperoxy-4-methoxy-1H-indol-2-amine
SMILESCOc1cccc2[nH]c(NOO)cc12
InChIInChI=1S/C9H10N2O3/c1-13-8-4-2-3-7-6(8)5-9(10-7)11-14-12/h2-5,10-12H,1H3
InChIKeyCQOLTVWJIMQTLF-UHFFFAOYSA-N
XLogP1.99
TPSA66.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

4-methoxy-1H-indole-2-carbonyl chloride
CID 53404354
2-fluoro-4-methoxy-1H-indole
CID 174907936
1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-2-ol
CID 117194596
2-(4-methoxy-1H-indol-2-yl)acetic acid
CID 28806414
4-methoxy-2-(4-methoxyphenyl)-1H-indole
CID 159214029
4-methoxy-2-methyl-1H-indole;2-methyl-1H-indole
CID 159600634
N-cyclohexyl-4-methoxy-1H-indole-2-carboxamide
CID 110848909
N-[2-(4-methoxy-1H-indol-2-yl)ethyl]acetamide
CID 10513751
1H-indol-2-yl-(4-methoxy-1H-indol-2-yl)methanone
CID 11543838
ethyl 2-(4-methoxy-1H-indol-2-yl)-2-oxoacetate
CID 115072498
N-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide
CID 110833457
N-(4-cyanophenyl)-4-methoxy-1H-indole-2-carboxamide
CID 110864886

Frequently Asked Questions

What is the IUPAC name of N-hydroperoxy-4-methoxy-1H-indol-2-amine?
The IUPAC name of N-hydroperoxy-4-methoxy-1H-indol-2-amine (CID 142093209) is N-hydroperoxy-4-methoxy-1H-indol-2-amine.
What is the SMILES notation for N-hydroperoxy-4-methoxy-1H-indol-2-amine?
The canonical SMILES for N-hydroperoxy-4-methoxy-1H-indol-2-amine is COc1cccc2[nH]c(NOO)cc12.
What is the InChIKey of N-hydroperoxy-4-methoxy-1H-indol-2-amine?
The InChIKey is CQOLTVWJIMQTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-13-8-4-2-3-7-6(8)5-9(10-7)11-14-12/h2-5,10-12H,1H3.
What are the key properties of N-hydroperoxy-4-methoxy-1H-indol-2-amine?
N-hydroperoxy-4-methoxy-1H-indol-2-amine has a molecular weight of 194.19 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroperoxy-4-methoxy-1H-indol-2-amine is sourced from PubChem (CID 142093209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).