4-azaspiro[2.4]heptane

C6H11N — CID 20522198

IUPAC4-azaspiro[2.4]heptane
SMILESC1CNC2(C1)CC2
InChIInChI=1S/C6H11N/c1-2-6(3-4-6)7-5-1/h7H,1-5H2
InChIKeyJDDQECMBPWVIRU-UHFFFAOYSA-N
MW97.16 g/mol
LogP0.90
Rot. Bonds

About 4-azaspiro[2.4]heptane

4-azaspiro[2.4]heptane (PubChem CID 20522198) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 4-azaspiro[2.4]heptane.

Molecular Properties

Compound Name4-azaspiro[2.4]heptane
PubChem CID20522198
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name4-azaspiro[2.4]heptane
SMILESC1CNC2(C1)CC2
InChIInChI=1S/C6H11N/c1-2-6(3-4-6)7-5-1/h7H,1-5H2
InChIKeyJDDQECMBPWVIRU-UHFFFAOYSA-N
XLogP0.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-azaspiro[2.4]heptane?
The IUPAC name of 4-azaspiro[2.4]heptane (CID 20522198) is 4-azaspiro[2.4]heptane.
What is the SMILES notation for 4-azaspiro[2.4]heptane?
The canonical SMILES for 4-azaspiro[2.4]heptane is C1CNC2(C1)CC2.
What is the InChIKey of 4-azaspiro[2.4]heptane?
The InChIKey is JDDQECMBPWVIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-2-6(3-4-6)7-5-1/h7H,1-5H2.
What are the key properties of 4-azaspiro[2.4]heptane?
4-azaspiro[2.4]heptane has a molecular weight of 97.16 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azaspiro[2.4]heptane is sourced from PubChem (CID 20522198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).