2-methyl-2-(1-methylindol-3-yl)propaneperoxoic acid

C13H15NO3 — CID 22943029

IUPAC2-methyl-2-(1-methylindol-3-yl)propaneperoxoic acid
SMILESCn1cc(C(C)(C)C(=O)OO)c2ccccc21
InChIInChI=1S/C13H15NO3/c1-13(2,12(15)17-16)10-8-14(3)11-7-5-4-6-9(10)11/h4-8,16H,1-3H3
InChIKeyMEDAGXYRMVKXBX-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.47
Rot. Bonds2

About 2-methyl-2-(1-methylindol-3-yl)propaneperoxoic acid

2-methyl-2-(1-methylindol-3-yl)propaneperoxoic acid (PubChem CID 22943029) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-methyl-2-(1-methylindol-3-yl)propaneperoxoic acid.

Molecular Properties

Compound Name2-methyl-2-(1-methylindol-3-yl)propaneperoxoic acid
PubChem CID22943029
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-methyl-2-(1-methylindol-3-yl)propaneperoxoic acid
SMILESCn1cc(C(C)(C)C(=O)OO)c2ccccc21
InChIInChI=1S/C13H15NO3/c1-13(2,12(15)17-16)10-8-14(3)11-7-5-4-6-9(10)11/h4-8,16H,1-3H3
InChIKeyMEDAGXYRMVKXBX-UHFFFAOYSA-N
XLogP2.47
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
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

3-[1,1-bis(1-methylindol-3-yl)ethyl]-1-methylindole
CID 13205591
4-methyl-4-(1-methylindol-3-yl)pentan-2-one
CID 12015252
[2-methyl-2-(1-methylindol-3-yl)propyl]urea
CID 19756239
2-chloro-N-[2-(1-methylindol-3-yl)propan-2-yl]acetamide
CID 116829549
2,2-difluoro-2-(1-methylindol-3-yl)acetonitrile
CID 116840601
(1-methylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857099
2,2-dimethyl-3-(1-methylindol-3-yl)-3-oxopropanoic acid
CID 116918097
3-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrrole
CID 91045612
3-[1,1,1,3,3,3-hexafluoro-2-[[1,1,1,3,3,3-hexafluoro-2-(1-methylindol-3-yl)propan-2-yl]trisulfanyl]propan-2-yl]-1-methylindole
CID 132839182
1-methylindole-3-carbothioic S-acid
CID 116918837
3-[1-cyclopropyl-2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]-1-methylindole
CID 102130704
N-hydroxy-1-methylindole-3-sulfonamide
CID 82287794

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-methylindol-3-yl)propaneperoxoic acid?
The IUPAC name of 2-methyl-2-(1-methylindol-3-yl)propaneperoxoic acid (CID 22943029) is 2-methyl-2-(1-methylindol-3-yl)propaneperoxoic acid.
What is the SMILES notation for 2-methyl-2-(1-methylindol-3-yl)propaneperoxoic acid?
The canonical SMILES for 2-methyl-2-(1-methylindol-3-yl)propaneperoxoic acid is Cn1cc(C(C)(C)C(=O)OO)c2ccccc21.
What is the InChIKey of 2-methyl-2-(1-methylindol-3-yl)propaneperoxoic acid?
The InChIKey is MEDAGXYRMVKXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-13(2,12(15)17-16)10-8-14(3)11-7-5-4-6-9(10)11/h4-8,16H,1-3H3.
What are the key properties of 2-methyl-2-(1-methylindol-3-yl)propaneperoxoic acid?
2-methyl-2-(1-methylindol-3-yl)propaneperoxoic acid has a molecular weight of 233.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-methylindol-3-yl)propaneperoxoic acid is sourced from PubChem (CID 22943029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).