spiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine

C9H17N3O — CID 129056826

IUPACspiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine
SMILESNN1CC2(CC3CCC2CC3)ON1
InChIInChI=1S/C9H17N3O/c10-12-6-9(13-11-12)5-7-1-3-8(9)4-2-7/h7-8,11H,1-6,10H2
InChIKeyOEWWRBLKDUCDED-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.56
Rot. Bonds

About spiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine

spiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine (PubChem CID 129056826) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is spiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine.

Molecular Properties

Compound Namespiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine
PubChem CID129056826
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Namespiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine
SMILESNN1CC2(CC3CCC2CC3)ON1
InChIInChI=1S/C9H17N3O/c10-12-6-9(13-11-12)5-7-1-3-8(9)4-2-7/h7-8,11H,1-6,10H2
InChIKeyOEWWRBLKDUCDED-UHFFFAOYSA-N
XLogP0.56
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of spiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine?
The IUPAC name of spiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine (CID 129056826) is spiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine.
What is the SMILES notation for spiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine?
The canonical SMILES for spiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine is NN1CC2(CC3CCC2CC3)ON1.
What is the InChIKey of spiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine?
The InChIKey is OEWWRBLKDUCDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c10-12-6-9(13-11-12)5-7-1-3-8(9)4-2-7/h7-8,11H,1-6,10H2.
What are the key properties of spiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine?
spiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine has a molecular weight of 183.25 g/mol, XLogP of 0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine is sourced from PubChem (CID 129056826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).