1-methyl-3-(2-methyloxiran-2-yl)indole

C12H13NO — CID 82468567

IUPAC1-methyl-3-(2-methyloxiran-2-yl)indole
SMILESCn1cc(C2(C)CO2)c2ccccc21
InChIInChI=1S/C12H13NO/c1-12(8-14-12)10-7-13(2)11-6-4-3-5-9(10)11/h3-7H,8H2,1-2H3
InChIKeyAYMRCZGFDVDUHW-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.42
Rot. Bonds1

About 1-methyl-3-(2-methyloxiran-2-yl)indole

1-methyl-3-(2-methyloxiran-2-yl)indole (PubChem CID 82468567) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-methyl-3-(2-methyloxiran-2-yl)indole.

Molecular Properties

Compound Name1-methyl-3-(2-methyloxiran-2-yl)indole
PubChem CID82468567
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-methyl-3-(2-methyloxiran-2-yl)indole
SMILESCn1cc(C2(C)CO2)c2ccccc21
InChIInChI=1S/C12H13NO/c1-12(8-14-12)10-7-13(2)11-6-4-3-5-9(10)11/h3-7H,8H2,1-2H3
InChIKeyAYMRCZGFDVDUHW-UHFFFAOYSA-N
XLogP2.42
TPSA17.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-methylindol-3-yl)oxetane-3-carbaldehyde
CID 116872351
1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-one
CID 116873826
2-[3-(1-methylindol-3-yl)oxetan-3-yl]ethanethiol
CID 116872556
[1-(1-methylindol-3-yl)cyclopropyl]methanamine
CID 82278323
1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-amine
CID 116869840
2-methyl-2-(1-methylindol-3-yl)cyclopropane-1-carbonitrile
CID 116841846
2-[1-(1-methylindol-3-yl)cyclopropyl]propan-2-amine
CID 83673846
2-[3-(1-methylindol-3-yl)oxetan-3-yl]propanoic acid
CID 116872061
2-[1-(1-methylindol-3-yl)cyclopentyl]acetonitrile
CID 10752435
2-[3-(1-methylindol-3-yl)oxetan-3-yl]butan-1-amine
CID 116875329
3-methyl-2-[3-(1-methylindol-3-yl)oxetan-3-yl]butanenitrile
CID 116875563
1-methyl-3-[2-(4-methylphenyl)-5,5-diphenyloxolan-2-yl]indole
CID 170782834

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methyloxiran-2-yl)indole?
The IUPAC name of 1-methyl-3-(2-methyloxiran-2-yl)indole (CID 82468567) is 1-methyl-3-(2-methyloxiran-2-yl)indole.
What is the SMILES notation for 1-methyl-3-(2-methyloxiran-2-yl)indole?
The canonical SMILES for 1-methyl-3-(2-methyloxiran-2-yl)indole is Cn1cc(C2(C)CO2)c2ccccc21.
What is the InChIKey of 1-methyl-3-(2-methyloxiran-2-yl)indole?
The InChIKey is AYMRCZGFDVDUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-12(8-14-12)10-7-13(2)11-6-4-3-5-9(10)11/h3-7H,8H2,1-2H3.
What are the key properties of 1-methyl-3-(2-methyloxiran-2-yl)indole?
1-methyl-3-(2-methyloxiran-2-yl)indole has a molecular weight of 187.24 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methyloxiran-2-yl)indole is sourced from PubChem (CID 82468567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).