(3aS,6S,7aS)-6-methoxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole

C10H19NO — CID 118709199

IUPAC(3aS,6S,7aS)-6-methoxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESCO[C@H]1CC[C@H]2CCN(C)[C@H]2C1
InChIInChI=1S/C10H19NO/c1-11-6-5-8-3-4-9(12-2)7-10(8)11/h8-10H,3-7H2,1-2H3/t8-,9-,10-/m0/s1
InChIKeyPNDUXUALYZWZES-GUBZILKMSA-N
MW169.27 g/mol
LogP1.51
Rot. Bonds1

About (3aS,6S,7aS)-6-methoxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole

(3aS,6S,7aS)-6-methoxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole (PubChem CID 118709199) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (3aS,6S,7aS)-6-methoxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole.

Molecular Properties

Compound Name(3aS,6S,7aS)-6-methoxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
PubChem CID118709199
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(3aS,6S,7aS)-6-methoxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESCO[C@H]1CC[C@H]2CCN(C)[C@H]2C1
InChIInChI=1S/C10H19NO/c1-11-6-5-8-3-4-9(12-2)7-10(8)11/h8-10H,3-7H2,1-2H3/t8-,9-,10-/m0/s1
InChIKeyPNDUXUALYZWZES-GUBZILKMSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aS,6S,7aS)-6-methoxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole with MolForge

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Related Compounds

(3aS,6S,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-ol
CID 118709201
(3aS,6S,7aS)-6-ethoxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 118709202
(3aS,6S,7aS)-6-(2-methoxyethoxy)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 118709204
5-fluoro-6-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 178858924
2-(Methoxymethyl)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 22981541
6-Methoxy-octahydro-1h-indole
CID 44558435
(3aS,7aS)-2-(methoxymethyl)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 53760291
(3aS)-2-(methoxymethyl)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 53760292
6-Methoxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 57672086
5-Methoxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 57672094
4-Methoxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 57672112
(3aS,7aS)-6-methoxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 57979691

Frequently Asked Questions

What is the IUPAC name of (3aS,6S,7aS)-6-methoxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole?
The IUPAC name of (3aS,6S,7aS)-6-methoxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole (CID 118709199) is (3aS,6S,7aS)-6-methoxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole.
What is the SMILES notation for (3aS,6S,7aS)-6-methoxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole?
The canonical SMILES for (3aS,6S,7aS)-6-methoxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole is CO[C@H]1CC[C@H]2CCN(C)[C@H]2C1.
What is the InChIKey of (3aS,6S,7aS)-6-methoxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole?
The InChIKey is PNDUXUALYZWZES-GUBZILKMSA-N. The full InChI is InChI=1S/C10H19NO/c1-11-6-5-8-3-4-9(12-2)7-10(8)11/h8-10H,3-7H2,1-2H3/t8-,9-,10-/m0/s1.
What are the key properties of (3aS,6S,7aS)-6-methoxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole?
(3aS,6S,7aS)-6-methoxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole has a molecular weight of 169.27 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6S,7aS)-6-methoxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole is sourced from PubChem (CID 118709199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).