1-methyl-6-propoxy-2,3,3a,4,5,6,7,7a-octahydroindole

C12H23NO — CID 171567501

IUPAC1-methyl-6-propoxy-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESCCCOC1CCC2CCN(C)C2C1
InChIInChI=1S/C12H23NO/c1-3-8-14-11-5-4-10-6-7-13(2)12(10)9-11/h10-12H,3-9H2,1-2H3
InChIKeyTVEJNXBPMFBKMF-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.29
Rot. Bonds3

About 1-methyl-6-propoxy-2,3,3a,4,5,6,7,7a-octahydroindole

1-methyl-6-propoxy-2,3,3a,4,5,6,7,7a-octahydroindole (PubChem CID 171567501) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-methyl-6-propoxy-2,3,3a,4,5,6,7,7a-octahydroindole.

Molecular Properties

Compound Name1-methyl-6-propoxy-2,3,3a,4,5,6,7,7a-octahydroindole
PubChem CID171567501
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-methyl-6-propoxy-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESCCCOC1CCC2CCN(C)C2C1
InChIInChI=1S/C12H23NO/c1-3-8-14-11-5-4-10-6-7-13(2)12(10)9-11/h10-12H,3-9H2,1-2H3
InChIKeyTVEJNXBPMFBKMF-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-propoxy-2,3,3a,4,5,6,7,7a-octahydroindole?
The IUPAC name of 1-methyl-6-propoxy-2,3,3a,4,5,6,7,7a-octahydroindole (CID 171567501) is 1-methyl-6-propoxy-2,3,3a,4,5,6,7,7a-octahydroindole.
What is the SMILES notation for 1-methyl-6-propoxy-2,3,3a,4,5,6,7,7a-octahydroindole?
The canonical SMILES for 1-methyl-6-propoxy-2,3,3a,4,5,6,7,7a-octahydroindole is CCCOC1CCC2CCN(C)C2C1.
What is the InChIKey of 1-methyl-6-propoxy-2,3,3a,4,5,6,7,7a-octahydroindole?
The InChIKey is TVEJNXBPMFBKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-8-14-11-5-4-10-6-7-13(2)12(10)9-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-methyl-6-propoxy-2,3,3a,4,5,6,7,7a-octahydroindole?
1-methyl-6-propoxy-2,3,3a,4,5,6,7,7a-octahydroindole has a molecular weight of 197.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-propoxy-2,3,3a,4,5,6,7,7a-octahydroindole is sourced from PubChem (CID 171567501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).