5-azaspiro[3.4]octan-7-ol

C7H13NO — CID 131299064

IUPAC5-azaspiro[3.4]octan-7-ol
SMILESOC1CNC2(CCC2)C1
InChIInChI=1S/C7H13NO/c9-6-4-7(8-5-6)2-1-3-7/h6,8-9H,1-5H2
InChIKeyXOVBBFFCGZNKSI-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.26
Rot. Bonds

About 5-azaspiro[3.4]octan-7-ol

5-azaspiro[3.4]octan-7-ol (PubChem CID 131299064) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 5-azaspiro[3.4]octan-7-ol.

Molecular Properties

Compound Name5-azaspiro[3.4]octan-7-ol
PubChem CID131299064
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name5-azaspiro[3.4]octan-7-ol
SMILESOC1CNC2(CCC2)C1
InChIInChI=1S/C7H13NO/c9-6-4-7(8-5-6)2-1-3-7/h6,8-9H,1-5H2
InChIKeyXOVBBFFCGZNKSI-UHFFFAOYSA-N
XLogP0.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-azaspiro[3.4]octan-7-ol?
The IUPAC name of 5-azaspiro[3.4]octan-7-ol (CID 131299064) is 5-azaspiro[3.4]octan-7-ol.
What is the SMILES notation for 5-azaspiro[3.4]octan-7-ol?
The canonical SMILES for 5-azaspiro[3.4]octan-7-ol is OC1CNC2(CCC2)C1.
What is the InChIKey of 5-azaspiro[3.4]octan-7-ol?
The InChIKey is XOVBBFFCGZNKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c9-6-4-7(8-5-6)2-1-3-7/h6,8-9H,1-5H2.
What are the key properties of 5-azaspiro[3.4]octan-7-ol?
5-azaspiro[3.4]octan-7-ol has a molecular weight of 127.19 g/mol, XLogP of 0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azaspiro[3.4]octan-7-ol is sourced from PubChem (CID 131299064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).