[(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]methanol

C10H19NO — CID 11991875

IUPAC[(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]methanol
SMILESCN1C[C@@H]2CCCC[C@H]2[C@@H]1CO
InChIInChI=1S/C10H19NO/c1-11-6-8-4-2-3-5-9(8)10(11)7-12/h8-10,12H,2-7H2,1H3/t8-,9+,10-/m0/s1
InChIKeyYJTXMZZMDZQIFZ-AEJSXWLSSA-N
MW169.27 g/mol
LogP1.10
Rot. Bonds1

About [(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]methanol

[(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]methanol (PubChem CID 11991875) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is [(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]methanol.

Molecular Properties

Compound Name[(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]methanol
PubChem CID11991875
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name[(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]methanol
SMILESCN1C[C@@H]2CCCC[C@H]2[C@@H]1CO
InChIInChI=1S/C10H19NO/c1-11-6-8-4-2-3-5-9(8)10(11)7-12/h8-10,12H,2-7H2,1H3/t8-,9+,10-/m0/s1
InChIKeyYJTXMZZMDZQIFZ-AEJSXWLSSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]methanol with MolForge

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Related Compounds

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
CID 58907291
CID 58907291
[(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-yl]methanol
CID 58907306
[1-(3-Methylcyclohexyl)pyrrolidin-2-yl]methanol
CID 64248889
2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-ylmethanol
CID 72459041
2-(2-Methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)propan-2-ol
CID 73171590
1-Methyl-2,3,3a,4,5,6,7,7a-octahydroindol-7-ol
CID 73847346
2-Methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-1,3-diol
CID 89722301
2-(1,3-Dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)ethyl-(2-hydroxyethyl)-dimethylazanium
CID 123915113
[(2R)-1-[(1R,3S)-3-propan-2-ylcyclohexyl]pyrrolidin-2-yl]methanol
CID 135130357

Frequently Asked Questions

What is the IUPAC name of [(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]methanol?
The IUPAC name of [(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]methanol (CID 11991875) is [(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]methanol.
What is the SMILES notation for [(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]methanol?
The canonical SMILES for [(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]methanol is CN1C[C@@H]2CCCC[C@H]2[C@@H]1CO.
What is the InChIKey of [(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]methanol?
The InChIKey is YJTXMZZMDZQIFZ-AEJSXWLSSA-N. The full InChI is InChI=1S/C10H19NO/c1-11-6-8-4-2-3-5-9(8)10(11)7-12/h8-10,12H,2-7H2,1H3/t8-,9+,10-/m0/s1.
What are the key properties of [(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]methanol?
[(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]methanol has a molecular weight of 169.27 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]methanol is sourced from PubChem (CID 11991875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).