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

C10H19NO — CID 167563432

IUPAC[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methanol
SMILESCN1[C@H](CO)C[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C10H19NO/c1-11-9(7-12)6-8-4-2-3-5-10(8)11/h8-10,12H,2-7H2,1H3/t8-,9-,10-/m0/s1
InChIKeyFEZOPHXZURQGME-GUBZILKMSA-N
MW169.27 g/mol
LogP1.24
Rot. Bonds1

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

[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methanol (PubChem CID 167563432) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is [(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methanol
PubChem CID167563432
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methanol
SMILESCN1[C@H](CO)C[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C10H19NO/c1-11-9(7-12)6-8-4-2-3-5-10(8)11/h8-10,12H,2-7H2,1H3/t8-,9-,10-/m0/s1
InChIKeyFEZOPHXZURQGME-GUBZILKMSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methanol 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
(5-Heptyl-6-methyloctahydroindolizin-8-yl)methanol
CID 172418437
[(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
(4aS,8aS)-1-methyl-1,3,3a,4,4a,5,6,7,8,8a-decahydro-[1,3]oxazolo[3,4-a]indol-2-ium
CID 134862356
[(1S,3aS,7aS)-2,2-dimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium-1-yl]methanol iodide
CID 139190454
(6-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)methanol
CID 178864850
[(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
[(5R,8S,8aS)-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol
CID 121003029

Frequently Asked Questions

What is the IUPAC name of [(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methanol?
The IUPAC name of [(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methanol (CID 167563432) is [(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methanol.
What is the SMILES notation for [(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methanol?
The canonical SMILES for [(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methanol is CN1[C@H](CO)C[C@@H]2CCCC[C@@H]21.
What is the InChIKey of [(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methanol?
The InChIKey is FEZOPHXZURQGME-GUBZILKMSA-N. The full InChI is InChI=1S/C10H19NO/c1-11-9(7-12)6-8-4-2-3-5-10(8)11/h8-10,12H,2-7H2,1H3/t8-,9-,10-/m0/s1.
What are the key properties of [(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methanol?
[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methanol has a molecular weight of 169.27 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methanol is sourced from PubChem (CID 167563432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).