3-(methoxymethyl)-2H-indole

C10H11NO — CID 95036387

IUPAC3-(methoxymethyl)-2H-indole
SMILESCOCC1=c2ccccc2=NC1
InChIInChI=1S/C10H11NO/c1-12-7-8-6-11-10-5-3-2-4-9(8)10/h2-5H,6-7H2,1H3
InChIKeyZECJJLITALSUJA-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.12
Rot. Bonds2

About 3-(methoxymethyl)-2H-indole

3-(methoxymethyl)-2H-indole (PubChem CID 95036387) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-(methoxymethyl)-2H-indole.

Molecular Properties

Compound Name3-(methoxymethyl)-2H-indole
PubChem CID95036387
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3-(methoxymethyl)-2H-indole
SMILESCOCC1=c2ccccc2=NC1
InChIInChI=1S/C10H11NO/c1-12-7-8-6-11-10-5-3-2-4-9(8)10/h2-5H,6-7H2,1H3
InChIKeyZECJJLITALSUJA-UHFFFAOYSA-N
XLogP0.12
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2H-indole?
The IUPAC name of 3-(methoxymethyl)-2H-indole (CID 95036387) is 3-(methoxymethyl)-2H-indole.
What is the SMILES notation for 3-(methoxymethyl)-2H-indole?
The canonical SMILES for 3-(methoxymethyl)-2H-indole is COCC1=c2ccccc2=NC1.
What is the InChIKey of 3-(methoxymethyl)-2H-indole?
The InChIKey is ZECJJLITALSUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-12-7-8-6-11-10-5-3-2-4-9(8)10/h2-5H,6-7H2,1H3.
What are the key properties of 3-(methoxymethyl)-2H-indole?
3-(methoxymethyl)-2H-indole has a molecular weight of 161.20 g/mol, XLogP of 0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2H-indole is sourced from PubChem (CID 95036387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).