(3aR,7aR)-1-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole

C11H21NO — CID 130723594

IUPAC(3aR,7aR)-1-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESCOCCN1CC[C@H]2CCCC[C@H]21
InChIInChI=1S/C11H21NO/c1-13-9-8-12-7-6-10-4-2-3-5-11(10)12/h10-11H,2-9H2,1H3/t10-,11-/m1/s1
InChIKeyRWQGJPHORWGMFE-GHMZBOCLSA-N
MW183.29 g/mol
LogP1.90
Rot. Bonds3

About (3aR,7aR)-1-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole

(3aR,7aR)-1-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole (PubChem CID 130723594) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (3aR,7aR)-1-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole.

Molecular Properties

Compound Name(3aR,7aR)-1-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole
PubChem CID130723594
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(3aR,7aR)-1-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESCOCCN1CC[C@H]2CCCC[C@H]21
InChIInChI=1S/C11H21NO/c1-13-9-8-12-7-6-10-4-2-3-5-11(10)12/h10-11H,2-9H2,1H3/t10-,11-/m1/s1
InChIKeyRWQGJPHORWGMFE-GHMZBOCLSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aR,7aR)-1-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole with MolForge

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Related Compounds

1-(2-methoxyethyl)-2-piperidin-4-ylazepane
CID 64851835
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-methoxybutan-2-amine
CID 82750721
1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 524515
1-(2,2-dimethoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750043
methyl 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)butanoate
CID 78967455
1-(2-methoxyethyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681300
1-(3-bromopropyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82749789
1-[2-(4-bromophenoxy)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82751108
1-(3-methoxypropyl)-2-piperidin-4-ylazepane
CID 64852585
(3aR,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 59880463
4-[2-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethyl]morpholine
CID 128917741
2-[1-(2-methoxyethyl)piperidin-2-yl]cyclohexan-1-one
CID 79553024

Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-1-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The IUPAC name of (3aR,7aR)-1-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole (CID 130723594) is (3aR,7aR)-1-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole.
What is the SMILES notation for (3aR,7aR)-1-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The canonical SMILES for (3aR,7aR)-1-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole is COCCN1CC[C@H]2CCCC[C@H]21.
What is the InChIKey of (3aR,7aR)-1-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The InChIKey is RWQGJPHORWGMFE-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H21NO/c1-13-9-8-12-7-6-10-4-2-3-5-11(10)12/h10-11H,2-9H2,1H3/t10-,11-/m1/s1.
What are the key properties of (3aR,7aR)-1-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole?
(3aR,7aR)-1-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole has a molecular weight of 183.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-1-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole is sourced from PubChem (CID 130723594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).