(1R,4R)-7-oxabicyclo[2.2.1]hept-5-en-2-amine

C6H9NO — CID 55285770

IUPAC(1R,4R)-7-oxabicyclo[2.2.1]hept-5-en-2-amine
SMILESNC1C[C@@H]2C=C[C@H]1O2
InChIInChI=1S/C6H9NO/c7-5-3-4-1-2-6(5)8-4/h1-2,4-6H,3,7H2/t4-,5?,6+/m0/s1
InChIKeyVXPHHIRNLFVACH-NOWQFEBASA-N
MW111.14 g/mol
LogP0.04
Rot. Bonds

About (1R,4R)-7-oxabicyclo[2.2.1]hept-5-en-2-amine

(1R,4R)-7-oxabicyclo[2.2.1]hept-5-en-2-amine (PubChem CID 55285770) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (1R,4R)-7-oxabicyclo[2.2.1]hept-5-en-2-amine.

Molecular Properties

Compound Name(1R,4R)-7-oxabicyclo[2.2.1]hept-5-en-2-amine
PubChem CID55285770
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(1R,4R)-7-oxabicyclo[2.2.1]hept-5-en-2-amine
SMILESNC1C[C@@H]2C=C[C@H]1O2
InChIInChI=1S/C6H9NO/c7-5-3-4-1-2-6(5)8-4/h1-2,4-6H,3,7H2/t4-,5?,6+/m0/s1
InChIKeyVXPHHIRNLFVACH-NOWQFEBASA-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 (1R,4R)-7-oxabicyclo[2.2.1]hept-5-en-2-amine?
The IUPAC name of (1R,4R)-7-oxabicyclo[2.2.1]hept-5-en-2-amine (CID 55285770) is (1R,4R)-7-oxabicyclo[2.2.1]hept-5-en-2-amine.
What is the SMILES notation for (1R,4R)-7-oxabicyclo[2.2.1]hept-5-en-2-amine?
The canonical SMILES for (1R,4R)-7-oxabicyclo[2.2.1]hept-5-en-2-amine is NC1C[C@@H]2C=C[C@H]1O2.
What is the InChIKey of (1R,4R)-7-oxabicyclo[2.2.1]hept-5-en-2-amine?
The InChIKey is VXPHHIRNLFVACH-NOWQFEBASA-N. The full InChI is InChI=1S/C6H9NO/c7-5-3-4-1-2-6(5)8-4/h1-2,4-6H,3,7H2/t4-,5?,6+/m0/s1.
What are the key properties of (1R,4R)-7-oxabicyclo[2.2.1]hept-5-en-2-amine?
(1R,4R)-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 (1R,4R)-7-oxabicyclo[2.2.1]hept-5-en-2-amine is sourced from PubChem (CID 55285770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).