5-methyl-1-(oxiran-2-ylmethyl)indole

C12H13NO — CID 54857157

IUPAC5-methyl-1-(oxiran-2-ylmethyl)indole
SMILESCc1ccc2c(ccn2CC2CO2)c1
InChIInChI=1S/C12H13NO/c1-9-2-3-12-10(6-9)4-5-13(12)7-11-8-14-11/h2-6,11H,7-8H2,1H3
InChIKeyCVMHIQWYLHHOGV-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.35
Rot. Bonds2

About 5-methyl-1-(oxiran-2-ylmethyl)indole

5-methyl-1-(oxiran-2-ylmethyl)indole (PubChem CID 54857157) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 5-methyl-1-(oxiran-2-ylmethyl)indole.

Molecular Properties

Compound Name5-methyl-1-(oxiran-2-ylmethyl)indole
PubChem CID54857157
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name5-methyl-1-(oxiran-2-ylmethyl)indole
SMILESCc1ccc2c(ccn2CC2CO2)c1
InChIInChI=1S/C12H13NO/c1-9-2-3-12-10(6-9)4-5-13(12)7-11-8-14-11/h2-6,11H,7-8H2,1H3
InChIKeyCVMHIQWYLHHOGV-UHFFFAOYSA-N
XLogP2.35
TPSA17.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.35
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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(oxiran-2-ylmethyl)indole?
The IUPAC name of 5-methyl-1-(oxiran-2-ylmethyl)indole (CID 54857157) is 5-methyl-1-(oxiran-2-ylmethyl)indole.
What is the SMILES notation for 5-methyl-1-(oxiran-2-ylmethyl)indole?
The canonical SMILES for 5-methyl-1-(oxiran-2-ylmethyl)indole is Cc1ccc2c(ccn2CC2CO2)c1.
What is the InChIKey of 5-methyl-1-(oxiran-2-ylmethyl)indole?
The InChIKey is CVMHIQWYLHHOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-9-2-3-12-10(6-9)4-5-13(12)7-11-8-14-11/h2-6,11H,7-8H2,1H3.
What are the key properties of 5-methyl-1-(oxiran-2-ylmethyl)indole?
5-methyl-1-(oxiran-2-ylmethyl)indole has a molecular weight of 187.24 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(oxiran-2-ylmethyl)indole is sourced from PubChem (CID 54857157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).