[(2S,3R)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol

C7H11NO2 — CID 117274990

IUPAC[(2S,3R)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
SMILESN[C@H]1C2C=CC(O2)[C@@H]1CO
InChIInChI=1S/C7H11NO2/c8-7-4(3-9)5-1-2-6(7)10-5/h1-2,4-7,9H,3,8H2/t4-,5?,6?,7+/m0/s1
InChIKeyURZLWWZKYSQYOA-KTSQROGYSA-N
MW141.17 g/mol
LogP-0.74
Rot. Bonds1

About [(2S,3R)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol

[(2S,3R)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol (PubChem CID 117274990) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is [(2S,3R)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
PubChem CID117274990
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name[(2S,3R)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
SMILESN[C@H]1C2C=CC(O2)[C@@H]1CO
InChIInChI=1S/C7H11NO2/c8-7-4(3-9)5-1-2-6(7)10-5/h1-2,4-7,9H,3,8H2/t4-,5?,6?,7+/m0/s1
InChIKeyURZLWWZKYSQYOA-KTSQROGYSA-N
XLogP-0.74
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol?
The IUPAC name of [(2S,3R)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol (CID 117274990) is [(2S,3R)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol?
The canonical SMILES for [(2S,3R)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol is N[C@H]1C2C=CC(O2)[C@@H]1CO.
What is the InChIKey of [(2S,3R)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol?
The InChIKey is URZLWWZKYSQYOA-KTSQROGYSA-N. The full InChI is InChI=1S/C7H11NO2/c8-7-4(3-9)5-1-2-6(7)10-5/h1-2,4-7,9H,3,8H2/t4-,5?,6?,7+/m0/s1.
What are the key properties of [(2S,3R)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol?
[(2S,3R)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol has a molecular weight of 141.17 g/mol, XLogP of -0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol is sourced from PubChem (CID 117274990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).