5-ethoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole

C11H21NO — CID 142312907

IUPAC5-ethoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
SMILESCCOC1CCC2CN(C)CC2C1
InChIInChI=1S/C11H21NO/c1-3-13-11-5-4-9-7-12(2)8-10(9)6-11/h9-11H,3-8H2,1-2H3
InChIKeyOSOWIYWWBVPBDT-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.75
Rot. Bonds2

About 5-ethoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole

5-ethoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole (PubChem CID 142312907) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 5-ethoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole.

Molecular Properties

Compound Name5-ethoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
PubChem CID142312907
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name5-ethoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
SMILESCCOC1CCC2CN(C)CC2C1
InChIInChI=1S/C11H21NO/c1-3-13-11-5-4-9-7-12(2)8-10(9)6-11/h9-11H,3-8H2,1-2H3
InChIKeyOSOWIYWWBVPBDT-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 57672091
5-Methoxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 57672094
4-Methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 57672102
(3aS,7aR)-4-methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 57979727
(3aR,7aS)-5-methoxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 57979733
(3aS,7aR)-5-methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 57979735
Ethane;2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 91116481
5-Methoxyoctahydro-1H-isoindole
CID 115012102
(3aR,7aS)-5-methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 134400034
(5S,6R,7aR)-6-methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 134400255
(3aS,5S,6R,7aR)-6-methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 134400259
(3aR,5S,7aS)-5-methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 134400264

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole?
The IUPAC name of 5-ethoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole (CID 142312907) is 5-ethoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole.
What is the SMILES notation for 5-ethoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole?
The canonical SMILES for 5-ethoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole is CCOC1CCC2CN(C)CC2C1.
What is the InChIKey of 5-ethoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole?
The InChIKey is OSOWIYWWBVPBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-13-11-5-4-9-7-12(2)8-10(9)6-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 5-ethoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole?
5-ethoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole has a molecular weight of 183.29 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole is sourced from PubChem (CID 142312907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).