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

C11H19NO2 — CID 130804461

IUPAC2-[[(2R)-oxiran-2-yl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
SMILESOC1CCC2CN(C[C@@H]3CO3)CC2C1
InChIInChI=1S/C11H19NO2/c13-10-2-1-8-4-12(5-9(8)3-10)6-11-7-14-11/h8-11,13H,1-7H2/t8?,9?,10?,11-/m1/s1
InChIKeyRAMQMGMQZKKSSC-AHELAYONSA-N
MW197.28 g/mol
LogP0.48
Rot. Bonds2

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

2-[[(2R)-oxiran-2-yl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol (PubChem CID 130804461) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[[(2R)-oxiran-2-yl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol.

Molecular Properties

Compound Name2-[[(2R)-oxiran-2-yl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
PubChem CID130804461
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-[[(2R)-oxiran-2-yl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
SMILESOC1CCC2CN(C[C@@H]3CO3)CC2C1
InChIInChI=1S/C11H19NO2/c13-10-2-1-8-4-12(5-9(8)3-10)6-11-7-14-11/h8-11,13H,1-7H2/t8?,9?,10?,11-/m1/s1
InChIKeyRAMQMGMQZKKSSC-AHELAYONSA-N
XLogP0.48
TPSA36.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-oxiran-2-yl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
The IUPAC name of 2-[[(2R)-oxiran-2-yl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol (CID 130804461) is 2-[[(2R)-oxiran-2-yl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol.
What is the SMILES notation for 2-[[(2R)-oxiran-2-yl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
The canonical SMILES for 2-[[(2R)-oxiran-2-yl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol is OC1CCC2CN(C[C@@H]3CO3)CC2C1.
What is the InChIKey of 2-[[(2R)-oxiran-2-yl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
The InChIKey is RAMQMGMQZKKSSC-AHELAYONSA-N. The full InChI is InChI=1S/C11H19NO2/c13-10-2-1-8-4-12(5-9(8)3-10)6-11-7-14-11/h8-11,13H,1-7H2/t8?,9?,10?,11-/m1/s1.
What are the key properties of 2-[[(2R)-oxiran-2-yl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
2-[[(2R)-oxiran-2-yl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol has a molecular weight of 197.28 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-oxiran-2-yl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol is sourced from PubChem (CID 130804461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).