2-(methoxymethyl)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole

C11H21NO — CID 22981541

IUPAC2-(methoxymethyl)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESCOCC1CC2CCCCC2N1C
InChIInChI=1S/C11H21NO/c1-12-10(8-13-2)7-9-5-3-4-6-11(9)12/h9-11H,3-8H2,1-2H3
InChIKeyDHJKXPVJBNTTIR-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.90
Rot. Bonds2

About 2-(methoxymethyl)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole

2-(methoxymethyl)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole (PubChem CID 22981541) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole.

Molecular Properties

Compound Name2-(methoxymethyl)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
PubChem CID22981541
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(methoxymethyl)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESCOCC1CC2CCCCC2N1C
InChIInChI=1S/C11H21NO/c1-12-10(8-13-2)7-9-5-3-4-6-11(9)12/h9-11H,3-8H2,1-2H3
InChIKeyDHJKXPVJBNTTIR-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole?
The IUPAC name of 2-(methoxymethyl)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole (CID 22981541) is 2-(methoxymethyl)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole.
What is the SMILES notation for 2-(methoxymethyl)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole?
The canonical SMILES for 2-(methoxymethyl)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole is COCC1CC2CCCCC2N1C.
What is the InChIKey of 2-(methoxymethyl)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole?
The InChIKey is DHJKXPVJBNTTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-12-10(8-13-2)7-9-5-3-4-6-11(9)12/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole?
2-(methoxymethyl)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole has a molecular weight of 183.29 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole is sourced from PubChem (CID 22981541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).