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

C7H11NO — CID 124552637

IUPAC[(1R,2R,4S)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanamine
SMILESNC[C@H]1C[C@H]2C=C[C@H]1O2
InChIInChI=1S/C7H11NO/c8-4-5-3-6-1-2-7(5)9-6/h1-2,5-7H,3-4,8H2/t5-,6-,7-/m1/s1
InChIKeyOUUFJVPPPLAXOC-FSDSQADBSA-N
MW125.17 g/mol
LogP0.29
Rot. Bonds1

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

[(1R,2R,4S)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanamine (PubChem CID 124552637) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is [(1R,2R,4S)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanamine.

Molecular Properties

Compound Name[(1R,2R,4S)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanamine
PubChem CID124552637
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name[(1R,2R,4S)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanamine
SMILESNC[C@H]1C[C@H]2C=C[C@H]1O2
InChIInChI=1S/C7H11NO/c8-4-5-3-6-1-2-7(5)9-6/h1-2,5-7H,3-4,8H2/t5-,6-,7-/m1/s1
InChIKeyOUUFJVPPPLAXOC-FSDSQADBSA-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 [(1R,2R,4S)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanamine?
The IUPAC name of [(1R,2R,4S)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanamine (CID 124552637) is [(1R,2R,4S)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanamine.
What is the SMILES notation for [(1R,2R,4S)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanamine?
The canonical SMILES for [(1R,2R,4S)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanamine is NC[C@H]1C[C@H]2C=C[C@H]1O2.
What is the InChIKey of [(1R,2R,4S)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanamine?
The InChIKey is OUUFJVPPPLAXOC-FSDSQADBSA-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/t5-,6-,7-/m1/s1.
What are the key properties of [(1R,2R,4S)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanamine?
[(1R,2R,4S)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanamine 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 [(1R,2R,4S)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanamine is sourced from PubChem (CID 124552637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).