ethanamine;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol

C8H11NO2 — CID 21291607

IUPACethanamine;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol
SMILESCCN.Oc1cc2ccc1o2
InChIInChI=1S/C6H4O2.C2H7N/c7-5-3-4-1-2-6(5)8-4;1-2-3/h1-3,7H;2-3H2,1H3
InChIKeyNZIHWVMSXLXZLY-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.54
Rot. Bonds

About ethanamine;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol

ethanamine;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol (PubChem CID 21291607) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is ethanamine;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol.

Molecular Properties

Compound Nameethanamine;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol
PubChem CID21291607
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Nameethanamine;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol
SMILESCCN.Oc1cc2ccc1o2
InChIInChI=1S/C6H4O2.C2H7N/c7-5-3-4-1-2-6(5)8-4;1-2-3/h1-3,7H;2-3H2,1H3
InChIKeyNZIHWVMSXLXZLY-UHFFFAOYSA-N
XLogP1.54
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethanamine;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol?
The IUPAC name of ethanamine;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol (CID 21291607) is ethanamine;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol.
What is the SMILES notation for ethanamine;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol?
The canonical SMILES for ethanamine;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol is CCN.Oc1cc2ccc1o2.
What is the InChIKey of ethanamine;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol?
The InChIKey is NZIHWVMSXLXZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O2.C2H7N/c7-5-3-4-1-2-6(5)8-4;1-2-3/h1-3,7H;2-3H2,1H3.
What are the key properties of ethanamine;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol?
ethanamine;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol has a molecular weight of 153.18 g/mol, XLogP of 1.54, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol is sourced from PubChem (CID 21291607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).