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

C8H13NO2 — CID 131119137

IUPAC[(1S,2S,3R,4R)-3-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
SMILESNC[C@H]1[C@@H](CO)[C@@H]2C=C[C@H]1O2
InChIInChI=1S/C8H13NO2/c9-3-5-6(4-10)8-2-1-7(5)11-8/h1-2,5-8,10H,3-4,9H2/t5-,6+,7+,8-/m0/s1
InChIKeyAOYSKSOXEZOYLR-OSMVPFSASA-N
MW155.20 g/mol
LogP-0.49
Rot. Bonds2

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

[(1S,2S,3R,4R)-3-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol (PubChem CID 131119137) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is [(1S,2S,3R,4R)-3-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol.

Molecular Properties

Compound Name[(1S,2S,3R,4R)-3-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
PubChem CID131119137
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name[(1S,2S,3R,4R)-3-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
SMILESNC[C@H]1[C@@H](CO)[C@@H]2C=C[C@H]1O2
InChIInChI=1S/C8H13NO2/c9-3-5-6(4-10)8-2-1-7(5)11-8/h1-2,5-8,10H,3-4,9H2/t5-,6+,7+,8-/m0/s1
InChIKeyAOYSKSOXEZOYLR-OSMVPFSASA-N
XLogP-0.49
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.49
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 [(1S,2S,3R,4R)-3-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol?
The IUPAC name of [(1S,2S,3R,4R)-3-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol (CID 131119137) is [(1S,2S,3R,4R)-3-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol.
What is the SMILES notation for [(1S,2S,3R,4R)-3-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol?
The canonical SMILES for [(1S,2S,3R,4R)-3-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol is NC[C@H]1[C@@H](CO)[C@@H]2C=C[C@H]1O2.
What is the InChIKey of [(1S,2S,3R,4R)-3-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol?
The InChIKey is AOYSKSOXEZOYLR-OSMVPFSASA-N. The full InChI is InChI=1S/C8H13NO2/c9-3-5-6(4-10)8-2-1-7(5)11-8/h1-2,5-8,10H,3-4,9H2/t5-,6+,7+,8-/m0/s1.
What are the key properties of [(1S,2S,3R,4R)-3-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol?
[(1S,2S,3R,4R)-3-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol has a molecular weight of 155.20 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3R,4R)-3-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol is sourced from PubChem (CID 131119137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).