7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanamine

C7H11NO — CID 55285099

IUPAC7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanamine
SMILESNCC1CC2C=CC1O2
InChIInChI=1S/C7H11NO/c8-4-5-3-6-1-2-7(5)9-6/h1-2,5-7H,3-4,8H2
InChIKeyOUUFJVPPPLAXOC-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.29
Rot. Bonds1

About 7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanamine

7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanamine (PubChem CID 55285099) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanamine.

Molecular Properties

Compound Name7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanamine
PubChem CID55285099
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanamine
SMILESNCC1CC2C=CC1O2
InChIInChI=1S/C7H11NO/c8-4-5-3-6-1-2-7(5)9-6/h1-2,5-7H,3-4,8H2
InChIKeyOUUFJVPPPLAXOC-UHFFFAOYSA-N
XLogP0.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.29
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 7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanamine?
The IUPAC name of 7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanamine (CID 55285099) is 7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanamine.
What is the SMILES notation for 7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanamine?
The canonical SMILES for 7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanamine is NCC1CC2C=CC1O2.
What is the InChIKey of 7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanamine?
The InChIKey is OUUFJVPPPLAXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c8-4-5-3-6-1-2-7(5)9-6/h1-2,5-7H,3-4,8H2.
What are the key properties of 7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanamine?
7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanamine has a molecular weight of 125.17 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[2.2.1]hept-5-en-2-ylmethanamine is sourced from PubChem (CID 55285099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).