6-methyl-4-(oxiran-2-ylmethoxy)-1H-indole

C12H13NO2 — CID 20527563

IUPAC6-methyl-4-(oxiran-2-ylmethoxy)-1H-indole
SMILESCc1cc(OCC2CO2)c2cc[nH]c2c1
InChIInChI=1S/C12H13NO2/c1-8-4-11-10(2-3-13-11)12(5-8)15-7-9-6-14-9/h2-5,9,13H,6-7H2,1H3
InChIKeyBKAHBWRBBQERJX-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.25
Rot. Bonds3

About 6-methyl-4-(oxiran-2-ylmethoxy)-1H-indole

6-methyl-4-(oxiran-2-ylmethoxy)-1H-indole (PubChem CID 20527563) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 6-methyl-4-(oxiran-2-ylmethoxy)-1H-indole.

Molecular Properties

Compound Name6-methyl-4-(oxiran-2-ylmethoxy)-1H-indole
PubChem CID20527563
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name6-methyl-4-(oxiran-2-ylmethoxy)-1H-indole
SMILESCc1cc(OCC2CO2)c2cc[nH]c2c1
InChIInChI=1S/C12H13NO2/c1-8-4-11-10(2-3-13-11)12(5-8)15-7-9-6-14-9/h2-5,9,13H,6-7H2,1H3
InChIKeyBKAHBWRBBQERJX-UHFFFAOYSA-N
XLogP2.25
TPSA37.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-6-methyl-1H-indole
CID 24728816
2-[[3-methyl-8-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxymethyl]oxirane
CID 139834073
N,N,6-trimethyl-4-(oxiran-2-ylmethoxy)-1H-indole-2-carboxamide
CID 23335495
(2S)-2-[(2-bromo-5-methylphenoxy)methyl]oxirane
CID 142614118
2,5-dimethyl-3-[[(2S)-oxiran-2-yl]methoxy]pyridine
CID 142614191
2-methyl-4-[[(2S)-oxiran-2-yl]methoxy]-1H-indole;sulfane
CID 158839388
2-[[2,5-dimethyl-3-[[4-methyl-3-[[4-methyl-3-(oxiran-2-ylmethoxy)phenyl]methyl]-5-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 89279977
3-methyl-4-(oxiran-2-ylmethoxy)-1H-indole
CID 15020336
2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane
CID 129074160
2-[[2,6-dimethyl-4-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
CID 142851433
(2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane
CID 7127515
(2S)-2-[[2-(3-methoxypropyl)-5-methylphenoxy]methyl]oxirane
CID 142614302

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(oxiran-2-ylmethoxy)-1H-indole?
The IUPAC name of 6-methyl-4-(oxiran-2-ylmethoxy)-1H-indole (CID 20527563) is 6-methyl-4-(oxiran-2-ylmethoxy)-1H-indole.
What is the SMILES notation for 6-methyl-4-(oxiran-2-ylmethoxy)-1H-indole?
The canonical SMILES for 6-methyl-4-(oxiran-2-ylmethoxy)-1H-indole is Cc1cc(OCC2CO2)c2cc[nH]c2c1.
What is the InChIKey of 6-methyl-4-(oxiran-2-ylmethoxy)-1H-indole?
The InChIKey is BKAHBWRBBQERJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-4-11-10(2-3-13-11)12(5-8)15-7-9-6-14-9/h2-5,9,13H,6-7H2,1H3.
What are the key properties of 6-methyl-4-(oxiran-2-ylmethoxy)-1H-indole?
6-methyl-4-(oxiran-2-ylmethoxy)-1H-indole has a molecular weight of 203.24 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(oxiran-2-ylmethoxy)-1H-indole is sourced from PubChem (CID 20527563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).