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

C6H9NO — CID 15476933

IUPAC7-oxabicyclo[2.2.1]hept-5-en-2-amine
SMILESNC1CC2C=CC1O2
InChIInChI=1S/C6H9NO/c7-5-3-4-1-2-6(5)8-4/h1-2,4-6H,3,7H2
InChIKeyVXPHHIRNLFVACH-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.04
Rot. Bonds

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

7-oxabicyclo[2.2.1]hept-5-en-2-amine (PubChem CID 15476933) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 7-oxabicyclo[2.2.1]hept-5-en-2-amine.

Molecular Properties

Compound Name7-oxabicyclo[2.2.1]hept-5-en-2-amine
PubChem CID15476933
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name7-oxabicyclo[2.2.1]hept-5-en-2-amine
SMILESNC1CC2C=CC1O2
InChIInChI=1S/C6H9NO/c7-5-3-4-1-2-6(5)8-4/h1-2,4-6H,3,7H2
InChIKeyVXPHHIRNLFVACH-UHFFFAOYSA-N
XLogP0.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.04
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?
The IUPAC name of 7-oxabicyclo[2.2.1]hept-5-en-2-amine (CID 15476933) is 7-oxabicyclo[2.2.1]hept-5-en-2-amine.
What is the SMILES notation for 7-oxabicyclo[2.2.1]hept-5-en-2-amine?
The canonical SMILES for 7-oxabicyclo[2.2.1]hept-5-en-2-amine is NC1CC2C=CC1O2.
What is the InChIKey of 7-oxabicyclo[2.2.1]hept-5-en-2-amine?
The InChIKey is VXPHHIRNLFVACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c7-5-3-4-1-2-6(5)8-4/h1-2,4-6H,3,7H2.
What are the key properties of 7-oxabicyclo[2.2.1]hept-5-en-2-amine?
7-oxabicyclo[2.2.1]hept-5-en-2-amine has a molecular weight of 111.14 g/mol, XLogP of 0.04, 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 is sourced from PubChem (CID 15476933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).