[(1R,2S,4S)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-2-yl]methanol

C8H13NO2 — CID 130978534

IUPAC[(1R,2S,4S)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-2-yl]methanol
SMILESOC[C@]12O[C@H]1CN1CCC[C@@H]12
InChIInChI=1S/C8H13NO2/c10-5-8-6-2-1-3-9(6)4-7(8)11-8/h6-7,10H,1-5H2/t6-,7+,8-/m1/s1
InChIKeyFRPJEHRSJNAWEI-GJMOJQLCSA-N
MW155.20 g/mol
LogP-0.41
Rot. Bonds1

About [(1R,2S,4S)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-2-yl]methanol

[(1R,2S,4S)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-2-yl]methanol (PubChem CID 130978534) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is [(1R,2S,4S)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-2-yl]methanol.

Molecular Properties

Compound Name[(1R,2S,4S)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-2-yl]methanol
PubChem CID130978534
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name[(1R,2S,4S)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-2-yl]methanol
SMILESOC[C@]12O[C@H]1CN1CCC[C@@H]12
InChIInChI=1S/C8H13NO2/c10-5-8-6-2-1-3-9(6)4-7(8)11-8/h6-7,10H,1-5H2/t6-,7+,8-/m1/s1
InChIKeyFRPJEHRSJNAWEI-GJMOJQLCSA-N
XLogP-0.41
TPSA36.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.41
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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Related Compounds

Subulacine
CID 14110209
(1R,7S,8S)-7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol
CID 101664494
(1S,2S,8S)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizine-1,2-diol
CID 102508119
6b-(Methoxymethyl)hexahydro-2h-oxireno[a]pyrrolizine
CID 259732
{Hexahydro-1AH-oxireno[2,3-A]pyrrolizin-6B-YL}methanol
CID 276552
[(1S,2S,4S)-6-oxido-3-oxa-6-azoniatricyclo[4.3.0.02,4]nonan-2-yl]methanol
CID 177930325
1beta,2beta-Epoxy-7-hydroxy-1alpha-methoxymethyl-8alpha-pyrrolizidine
CID 91753263
Isomer of 1beta,2beta-Epoxy-1alpha-hydroxymethyl-8alpha-pyrrolizidine
CID 91753271
(1R,7R,8S)-7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol
CID 11126759
7-(Hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol
CID 85408452
(1S,2S,4S)-2-(methoxymethyl)-3-oxa-6-azatricyclo[4.3.0.02,4]nonane
CID 102239874
1-(Hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizine-1,2-diol
CID 68619699

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4S)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-2-yl]methanol?
The IUPAC name of [(1R,2S,4S)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-2-yl]methanol (CID 130978534) is [(1R,2S,4S)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-2-yl]methanol.
What is the SMILES notation for [(1R,2S,4S)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-2-yl]methanol?
The canonical SMILES for [(1R,2S,4S)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-2-yl]methanol is OC[C@]12O[C@H]1CN1CCC[C@@H]12.
What is the InChIKey of [(1R,2S,4S)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-2-yl]methanol?
The InChIKey is FRPJEHRSJNAWEI-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H13NO2/c10-5-8-6-2-1-3-9(6)4-7(8)11-8/h6-7,10H,1-5H2/t6-,7+,8-/m1/s1.
What are the key properties of [(1R,2S,4S)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-2-yl]methanol?
[(1R,2S,4S)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-2-yl]methanol has a molecular weight of 155.20 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4S)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-2-yl]methanol is sourced from PubChem (CID 130978534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).