7-methoxy-2,2-dimethyl-1,3-dihydroindole

C11H15NO — CID 84717961

IUPAC7-methoxy-2,2-dimethyl-1,3-dihydroindole
SMILESCOc1cccc2c1NC(C)(C)C2
InChIInChI=1S/C11H15NO/c1-11(2)7-8-5-4-6-9(13-3)10(8)12-11/h4-6,12H,7H2,1-3H3
InChIKeyJGJOSKIVARDDCJ-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.44
Rot. Bonds1

About 7-methoxy-2,2-dimethyl-1,3-dihydroindole

7-methoxy-2,2-dimethyl-1,3-dihydroindole (PubChem CID 84717961) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 7-methoxy-2,2-dimethyl-1,3-dihydroindole.

Molecular Properties

Compound Name7-methoxy-2,2-dimethyl-1,3-dihydroindole
PubChem CID84717961
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name7-methoxy-2,2-dimethyl-1,3-dihydroindole
SMILESCOc1cccc2c1NC(C)(C)C2
InChIInChI=1S/C11H15NO/c1-11(2)7-8-5-4-6-9(13-3)10(8)12-11/h4-6,12H,7H2,1-3H3
InChIKeyJGJOSKIVARDDCJ-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,2-dimethyl-1,3-dihydroindole?
The IUPAC name of 7-methoxy-2,2-dimethyl-1,3-dihydroindole (CID 84717961) is 7-methoxy-2,2-dimethyl-1,3-dihydroindole.
What is the SMILES notation for 7-methoxy-2,2-dimethyl-1,3-dihydroindole?
The canonical SMILES for 7-methoxy-2,2-dimethyl-1,3-dihydroindole is COc1cccc2c1NC(C)(C)C2.
What is the InChIKey of 7-methoxy-2,2-dimethyl-1,3-dihydroindole?
The InChIKey is JGJOSKIVARDDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-11(2)7-8-5-4-6-9(13-3)10(8)12-11/h4-6,12H,7H2,1-3H3.
What are the key properties of 7-methoxy-2,2-dimethyl-1,3-dihydroindole?
7-methoxy-2,2-dimethyl-1,3-dihydroindole has a molecular weight of 177.25 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,2-dimethyl-1,3-dihydroindole is sourced from PubChem (CID 84717961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).