[3-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol

C8H13NO2 — CID 117275028

IUPAC[3-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
SMILESNCC1C2C=CC(O2)C1CO
InChIInChI=1S/C8H13NO2/c9-3-5-6(4-10)8-2-1-7(5)11-8/h1-2,5-8,10H,3-4,9H2
InChIKeyAOYSKSOXEZOYLR-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.49
Rot. Bonds2

About [3-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol

[3-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol (PubChem CID 117275028) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is [3-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol.

Molecular Properties

Compound Name[3-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
PubChem CID117275028
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name[3-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
SMILESNCC1C2C=CC(O2)C1CO
InChIInChI=1S/C8H13NO2/c9-3-5-6(4-10)8-2-1-7(5)11-8/h1-2,5-8,10H,3-4,9H2
InChIKeyAOYSKSOXEZOYLR-UHFFFAOYSA-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 [3-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol?
The IUPAC name of [3-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol (CID 117275028) is [3-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol.
What is the SMILES notation for [3-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol?
The canonical SMILES for [3-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol is NCC1C2C=CC(O2)C1CO.
What is the InChIKey of [3-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol?
The InChIKey is AOYSKSOXEZOYLR-UHFFFAOYSA-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.
What are the key properties of [3-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol?
[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 [3-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol is sourced from PubChem (CID 117275028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).