7-(methoxymethyl)-3-methyl-2,3-dihydro-1H-indole

C11H15NO — CID 118511571

IUPAC7-(methoxymethyl)-3-methyl-2,3-dihydro-1H-indole
SMILESCOCc1cccc2c1NCC2C
InChIInChI=1S/C11H15NO/c1-8-6-12-11-9(7-13-2)4-3-5-10(8)11/h3-5,8,12H,6-7H2,1-2H3
InChIKeyDTLQDIMVIOPLDJ-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.36
Rot. Bonds2

About 7-(methoxymethyl)-3-methyl-2,3-dihydro-1H-indole

7-(methoxymethyl)-3-methyl-2,3-dihydro-1H-indole (PubChem CID 118511571) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 7-(methoxymethyl)-3-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-(methoxymethyl)-3-methyl-2,3-dihydro-1H-indole
PubChem CID118511571
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name7-(methoxymethyl)-3-methyl-2,3-dihydro-1H-indole
SMILESCOCc1cccc2c1NCC2C
InChIInChI=1S/C11H15NO/c1-8-6-12-11-9(7-13-2)4-3-5-10(8)11/h3-5,8,12H,6-7H2,1-2H3
InChIKeyDTLQDIMVIOPLDJ-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)-3-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 7-(methoxymethyl)-3-methyl-2,3-dihydro-1H-indole (CID 118511571) is 7-(methoxymethyl)-3-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-(methoxymethyl)-3-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 7-(methoxymethyl)-3-methyl-2,3-dihydro-1H-indole is COCc1cccc2c1NCC2C.
What is the InChIKey of 7-(methoxymethyl)-3-methyl-2,3-dihydro-1H-indole?
The InChIKey is DTLQDIMVIOPLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-6-12-11-9(7-13-2)4-3-5-10(8)11/h3-5,8,12H,6-7H2,1-2H3.
What are the key properties of 7-(methoxymethyl)-3-methyl-2,3-dihydro-1H-indole?
7-(methoxymethyl)-3-methyl-2,3-dihydro-1H-indole has a molecular weight of 177.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)-3-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 118511571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).