5-azaspiro[2.5]octane

C7H13N — CID 22417185

IUPAC5-azaspiro[2.5]octane
SMILESC1CNCC2(C1)CC2
InChIInChI=1S/C7H13N/c1-2-7(3-4-7)6-8-5-1/h8H,1-6H2
InChIKeyUNOMGZZFCMNBCN-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.15
Rot. Bonds

About 5-azaspiro[2.5]octane

5-azaspiro[2.5]octane (PubChem CID 22417185) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 5-azaspiro[2.5]octane.

Molecular Properties

Compound Name5-azaspiro[2.5]octane
PubChem CID22417185
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name5-azaspiro[2.5]octane
SMILESC1CNCC2(C1)CC2
InChIInChI=1S/C7H13N/c1-2-7(3-4-7)6-8-5-1/h8H,1-6H2
InChIKeyUNOMGZZFCMNBCN-UHFFFAOYSA-N
XLogP1.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-azaspiro[2.5]octane?
The IUPAC name of 5-azaspiro[2.5]octane (CID 22417185) is 5-azaspiro[2.5]octane.
What is the SMILES notation for 5-azaspiro[2.5]octane?
The canonical SMILES for 5-azaspiro[2.5]octane is C1CNCC2(C1)CC2.
What is the InChIKey of 5-azaspiro[2.5]octane?
The InChIKey is UNOMGZZFCMNBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-2-7(3-4-7)6-8-5-1/h8H,1-6H2.
What are the key properties of 5-azaspiro[2.5]octane?
5-azaspiro[2.5]octane has a molecular weight of 111.19 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azaspiro[2.5]octane is sourced from PubChem (CID 22417185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).