7-oxabicyclo[2.2.1]hept-5-en-2-amine;hydrochloride

C6H10ClNO — CID 55285406

IUPAC7-oxabicyclo[2.2.1]hept-5-en-2-amine;hydrochloride
SMILESCl.NC1CC2C=CC1O2
InChIInChI=1S/C6H9NO.ClH/c7-5-3-4-1-2-6(5)8-4;/h1-2,4-6H,3,7H2;1H
InChIKeyIMOIWTSRFYIVGG-UHFFFAOYSA-N
MW147.61 g/mol
LogP0.46
Rot. Bonds

About 7-oxabicyclo[2.2.1]hept-5-en-2-amine;hydrochloride

7-oxabicyclo[2.2.1]hept-5-en-2-amine;hydrochloride (PubChem CID 55285406) has the molecular formula C6H10ClNO and a molecular weight of 147.61 g/mol. Its IUPAC name is 7-oxabicyclo[2.2.1]hept-5-en-2-amine;hydrochloride.

Molecular Properties

Compound Name7-oxabicyclo[2.2.1]hept-5-en-2-amine;hydrochloride
PubChem CID55285406
Molecular FormulaC6H10ClNO
Molecular Weight147.61 g/mol
Exact Mass147.05
IUPAC Name7-oxabicyclo[2.2.1]hept-5-en-2-amine;hydrochloride
SMILESCl.NC1CC2C=CC1O2
InChIInChI=1S/C6H9NO.ClH/c7-5-3-4-1-2-6(5)8-4;/h1-2,4-6H,3,7H2;1H
InChIKeyIMOIWTSRFYIVGG-UHFFFAOYSA-N
XLogP0.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.61
LogP ≤ 50.46
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-amine;hydrochloride?
The IUPAC name of 7-oxabicyclo[2.2.1]hept-5-en-2-amine;hydrochloride (CID 55285406) is 7-oxabicyclo[2.2.1]hept-5-en-2-amine;hydrochloride.
What is the SMILES notation for 7-oxabicyclo[2.2.1]hept-5-en-2-amine;hydrochloride?
The canonical SMILES for 7-oxabicyclo[2.2.1]hept-5-en-2-amine;hydrochloride is Cl.NC1CC2C=CC1O2.
What is the InChIKey of 7-oxabicyclo[2.2.1]hept-5-en-2-amine;hydrochloride?
The InChIKey is IMOIWTSRFYIVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.ClH/c7-5-3-4-1-2-6(5)8-4;/h1-2,4-6H,3,7H2;1H.
What are the key properties of 7-oxabicyclo[2.2.1]hept-5-en-2-amine;hydrochloride?
7-oxabicyclo[2.2.1]hept-5-en-2-amine;hydrochloride has a molecular weight of 147.61 g/mol, XLogP of 0.46, 0 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-amine;hydrochloride is sourced from PubChem (CID 55285406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).