8-oxabicyclo[3.2.1]oct-6-en-3-amine

C7H11NO — CID 84716062

IUPAC8-oxabicyclo[3.2.1]oct-6-en-3-amine
SMILESNC1CC2C=CC(C1)O2
InChIInChI=1S/C7H11NO/c8-5-3-6-1-2-7(4-5)9-6/h1-2,5-7H,3-4,8H2
InChIKeySAFGOJFBTGCFEN-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.43
Rot. Bonds

About 8-oxabicyclo[3.2.1]oct-6-en-3-amine

8-oxabicyclo[3.2.1]oct-6-en-3-amine (PubChem CID 84716062) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 8-oxabicyclo[3.2.1]oct-6-en-3-amine.

Molecular Properties

Compound Name8-oxabicyclo[3.2.1]oct-6-en-3-amine
PubChem CID84716062
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name8-oxabicyclo[3.2.1]oct-6-en-3-amine
SMILESNC1CC2C=CC(C1)O2
InChIInChI=1S/C7H11NO/c8-5-3-6-1-2-7(4-5)9-6/h1-2,5-7H,3-4,8H2
InChIKeySAFGOJFBTGCFEN-UHFFFAOYSA-N
XLogP0.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 8-oxabicyclo[3.2.1]oct-6-en-3-amine?
The IUPAC name of 8-oxabicyclo[3.2.1]oct-6-en-3-amine (CID 84716062) is 8-oxabicyclo[3.2.1]oct-6-en-3-amine.
What is the SMILES notation for 8-oxabicyclo[3.2.1]oct-6-en-3-amine?
The canonical SMILES for 8-oxabicyclo[3.2.1]oct-6-en-3-amine is NC1CC2C=CC(C1)O2.
What is the InChIKey of 8-oxabicyclo[3.2.1]oct-6-en-3-amine?
The InChIKey is SAFGOJFBTGCFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c8-5-3-6-1-2-7(4-5)9-6/h1-2,5-7H,3-4,8H2.
What are the key properties of 8-oxabicyclo[3.2.1]oct-6-en-3-amine?
8-oxabicyclo[3.2.1]oct-6-en-3-amine has a molecular weight of 125.17 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxabicyclo[3.2.1]oct-6-en-3-amine is sourced from PubChem (CID 84716062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).