[(1R,2R,3R,4S)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol

C7H11NO2 — CID 11309561

IUPAC[(1R,2R,3R,4S)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
SMILESN[C@@H]1[C@H](CO)[C@H]2C=C[C@@H]1O2
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-/m1/s1
InChIKeyURZLWWZKYSQYOA-MVIOUDGNSA-N
MW141.17 g/mol
LogP-0.74
Rot. Bonds1

About [(1R,2R,3R,4S)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol

[(1R,2R,3R,4S)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol (PubChem CID 11309561) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is [(1R,2R,3R,4S)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol.

Molecular Properties

Compound Name[(1R,2R,3R,4S)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
PubChem CID11309561
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name[(1R,2R,3R,4S)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
SMILESN[C@@H]1[C@H](CO)[C@H]2C=C[C@@H]1O2
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-/m1/s1
InChIKeyURZLWWZKYSQYOA-MVIOUDGNSA-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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CID 130934452
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Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R,4S)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol?
The IUPAC name of [(1R,2R,3R,4S)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol (CID 11309561) is [(1R,2R,3R,4S)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol.
What is the SMILES notation for [(1R,2R,3R,4S)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol?
The canonical SMILES for [(1R,2R,3R,4S)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol is N[C@@H]1[C@H](CO)[C@H]2C=C[C@@H]1O2.
What is the InChIKey of [(1R,2R,3R,4S)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol?
The InChIKey is URZLWWZKYSQYOA-MVIOUDGNSA-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-/m1/s1.
What are the key properties of [(1R,2R,3R,4S)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol?
[(1R,2R,3R,4S)-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 [(1R,2R,3R,4S)-3-amino-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol is sourced from PubChem (CID 11309561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).