1-azaspiro[3.4]octane

C7H13N — CID 55278963

IUPAC1-azaspiro[3.4]octane
SMILESC1CCC2(C1)CCN2
InChIInChI=1S/C7H13N/c1-2-4-7(3-1)5-6-8-7/h8H,1-6H2
InChIKeyDFAKAYKNPJMQSX-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.29
Rot. Bonds

About 1-azaspiro[3.4]octane

1-azaspiro[3.4]octane (PubChem CID 55278963) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 1-azaspiro[3.4]octane.

Molecular Properties

Compound Name1-azaspiro[3.4]octane
PubChem CID55278963
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name1-azaspiro[3.4]octane
SMILESC1CCC2(C1)CCN2
InChIInChI=1S/C7H13N/c1-2-4-7(3-1)5-6-8-7/h8H,1-6H2
InChIKeyDFAKAYKNPJMQSX-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-azaspiro[3.4]octane?
The IUPAC name of 1-azaspiro[3.4]octane (CID 55278963) is 1-azaspiro[3.4]octane.
What is the SMILES notation for 1-azaspiro[3.4]octane?
The canonical SMILES for 1-azaspiro[3.4]octane is C1CCC2(C1)CCN2.
What is the InChIKey of 1-azaspiro[3.4]octane?
The InChIKey is DFAKAYKNPJMQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-2-4-7(3-1)5-6-8-7/h8H,1-6H2.
What are the key properties of 1-azaspiro[3.4]octane?
1-azaspiro[3.4]octane has a molecular weight of 111.19 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azaspiro[3.4]octane is sourced from PubChem (CID 55278963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).