3-ethyl-5-methoxy-1-methyl-3a,7a-dihydroindole

C12H17NO — CID 149308156

IUPAC3-ethyl-5-methoxy-1-methyl-3a,7a-dihydroindole
SMILESCCC1=CN(C)C2C=CC(OC)=CC12
InChIInChI=1S/C12H17NO/c1-4-9-8-13(2)12-6-5-10(14-3)7-11(9)12/h5-8,11-12H,4H2,1-3H3
InChIKeyXYBWTRQYCURXEZ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.31
Rot. Bonds2

About 3-ethyl-5-methoxy-1-methyl-3a,7a-dihydroindole

3-ethyl-5-methoxy-1-methyl-3a,7a-dihydroindole (PubChem CID 149308156) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-ethyl-5-methoxy-1-methyl-3a,7a-dihydroindole.

Molecular Properties

Compound Name3-ethyl-5-methoxy-1-methyl-3a,7a-dihydroindole
PubChem CID149308156
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-ethyl-5-methoxy-1-methyl-3a,7a-dihydroindole
SMILESCCC1=CN(C)C2C=CC(OC)=CC12
InChIInChI=1S/C12H17NO/c1-4-9-8-13(2)12-6-5-10(14-3)7-11(9)12/h5-8,11-12H,4H2,1-3H3
InChIKeyXYBWTRQYCURXEZ-UHFFFAOYSA-N
XLogP2.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methoxy-1-methyl-3a,7a-dihydroindole?
The IUPAC name of 3-ethyl-5-methoxy-1-methyl-3a,7a-dihydroindole (CID 149308156) is 3-ethyl-5-methoxy-1-methyl-3a,7a-dihydroindole.
What is the SMILES notation for 3-ethyl-5-methoxy-1-methyl-3a,7a-dihydroindole?
The canonical SMILES for 3-ethyl-5-methoxy-1-methyl-3a,7a-dihydroindole is CCC1=CN(C)C2C=CC(OC)=CC12.
What is the InChIKey of 3-ethyl-5-methoxy-1-methyl-3a,7a-dihydroindole?
The InChIKey is XYBWTRQYCURXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-9-8-13(2)12-6-5-10(14-3)7-11(9)12/h5-8,11-12H,4H2,1-3H3.
What are the key properties of 3-ethyl-5-methoxy-1-methyl-3a,7a-dihydroindole?
3-ethyl-5-methoxy-1-methyl-3a,7a-dihydroindole has a molecular weight of 191.27 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methoxy-1-methyl-3a,7a-dihydroindole is sourced from PubChem (CID 149308156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).