1-[(3aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]ethanol

C11H21NO — CID 170054094

IUPAC1-[(3aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]ethanol
SMILESCC(O)C1C[C@@H]2CCCCC2N1C
InChIInChI=1S/C11H21NO/c1-8(13)11-7-9-5-3-4-6-10(9)12(11)2/h8-11,13H,3-7H2,1-2H3/t8?,9-,10?,11?/m0/s1
InChIKeyMZNPUUGSDUMUHP-ZQOALKFFSA-N
MW183.30 g/mol
LogP1.63
Rot. Bonds1

About 1-[(3aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]ethanol

1-[(3aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]ethanol (PubChem CID 170054094) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-[(3aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]ethanol.

Molecular Properties

Compound Name1-[(3aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]ethanol
PubChem CID170054094
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name1-[(3aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]ethanol
SMILESCC(O)C1C[C@@H]2CCCCC2N1C
InChIInChI=1S/C11H21NO/c1-8(13)11-7-9-5-3-4-6-10(9)12(11)2/h8-11,13H,3-7H2,1-2H3/t8?,9-,10?,11?/m0/s1
InChIKeyMZNPUUGSDUMUHP-ZQOALKFFSA-N
XLogP1.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]ethanol 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
[(2S,3AS,7aS)-octahydro-1H-indol-2-yl]methanol
CID 10975718
4-[(5R,8R,8aS)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]butan-1-ol
CID 10536480
1H-Indole-2-propanol, octahydro-1-methyl-
CID 12292833
[(1S,3aS,7aS)-2,2-dimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium-1-yl]methanol iodide
CID 139190454
[(5R,8R,8aS)-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol
CID 11096283
((5R,8R,8aS)-5-Propyloctahydroindolizin-8-yl)methanol
CID 14265397
[(5R,8S,8aS)-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol
CID 14265404
(R)-1-((3R,5R,8aR)-5-propyloctahydroindolizin-3-yl)butan-1-ol
CID 91724347
5-((5R,8aR)-8-Butyloctahydroindolizin-5-yl)pentan-2-ol
CID 91727410
[(5R,8S,8aS)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol
CID 121003029
2-(Methoxymethyl)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 22981541

Frequently Asked Questions

What is the IUPAC name of 1-[(3aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]ethanol?
The IUPAC name of 1-[(3aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]ethanol (CID 170054094) is 1-[(3aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]ethanol.
What is the SMILES notation for 1-[(3aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]ethanol?
The canonical SMILES for 1-[(3aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]ethanol is CC(O)C1C[C@@H]2CCCCC2N1C.
What is the InChIKey of 1-[(3aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]ethanol?
The InChIKey is MZNPUUGSDUMUHP-ZQOALKFFSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(13)11-7-9-5-3-4-6-10(9)12(11)2/h8-11,13H,3-7H2,1-2H3/t8?,9-,10?,11?/m0/s1.
What are the key properties of 1-[(3aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]ethanol?
1-[(3aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]ethanol has a molecular weight of 183.30 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]ethanol is sourced from PubChem (CID 170054094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).