(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-amine

C8H13NO — CID 55289448

IUPAC(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-amine
SMILESN[C@@H]1CC[C@@H]2C=CC[C@H]1O2
InChIInChI=1S/C8H13NO/c9-7-5-4-6-2-1-3-8(7)10-6/h1-2,6-8H,3-5,9H2/t6-,7+,8+/m0/s1
InChIKeyGYBRWLFWQPJYBC-XLPZGREQSA-N
MW139.20 g/mol
LogP0.82
Rot. Bonds

About (1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-amine

(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-amine (PubChem CID 55289448) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-amine.

Molecular Properties

Compound Name(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-amine
PubChem CID55289448
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-amine
SMILESN[C@@H]1CC[C@@H]2C=CC[C@H]1O2
InChIInChI=1S/C8H13NO/c9-7-5-4-6-2-1-3-8(7)10-6/h1-2,6-8H,3-5,9H2/t6-,7+,8+/m0/s1
InChIKeyGYBRWLFWQPJYBC-XLPZGREQSA-N
XLogP0.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.82
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,5R)-9-oxabicyclo[3.3.1]non-6-en-2-amine?
The IUPAC name of (1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-amine (CID 55289448) is (1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-amine.
What is the SMILES notation for (1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-amine?
The canonical SMILES for (1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-amine is N[C@@H]1CC[C@@H]2C=CC[C@H]1O2.
What is the InChIKey of (1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-amine?
The InChIKey is GYBRWLFWQPJYBC-XLPZGREQSA-N. The full InChI is InChI=1S/C8H13NO/c9-7-5-4-6-2-1-3-8(7)10-6/h1-2,6-8H,3-5,9H2/t6-,7+,8+/m0/s1.
What are the key properties of (1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-amine?
(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-amine has a molecular weight of 139.20 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-amine is sourced from PubChem (CID 55289448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).