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

C8H13NO2 — CID 91753271

IUPAC[(2S,4S)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-2-yl]methanol
SMILESOC[C@]12O[C@H]1CN1CCCC12
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+/m0/s1
InChIKeyFRPJEHRSJNAWEI-ZHFSPANRSA-N
MW155.20 g/mol
LogP-0.41
Rot. Bonds1

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

[(2S,4S)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-2-yl]methanol (PubChem CID 91753271) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is [(2S,4S)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-2-yl]methanol
PubChem CID91753271
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name[(2S,4S)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-2-yl]methanol
SMILESOC[C@]12O[C@H]1CN1CCCC12
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+/m0/s1
InChIKeyFRPJEHRSJNAWEI-ZHFSPANRSA-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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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-2-yl]methanol?
The IUPAC name of [(2S,4S)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-2-yl]methanol (CID 91753271) is [(2S,4S)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-2-yl]methanol?
The canonical SMILES for [(2S,4S)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-2-yl]methanol is OC[C@]12O[C@H]1CN1CCCC12.
What is the InChIKey of [(2S,4S)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-2-yl]methanol?
The InChIKey is FRPJEHRSJNAWEI-ZHFSPANRSA-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+/m0/s1.
What are the key properties of [(2S,4S)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-2-yl]methanol?
[(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 [(2S,4S)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-2-yl]methanol is sourced from PubChem (CID 91753271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).