4,7-diazaspiro[2.4]heptan-6-ol

C5H10N2O — CID 70226241

IUPAC4,7-diazaspiro[2.4]heptan-6-ol
SMILESOC1CNC2(CC2)N1
InChIInChI=1S/C5H10N2O/c8-4-3-6-5(7-4)1-2-5/h4,6-8H,1-3H2
InChIKeyFLZOTHMSBGKVPF-UHFFFAOYSA-N
MW114.15 g/mol
LogP-1.01
Rot. Bonds

About 4,7-diazaspiro[2.4]heptan-6-ol

4,7-diazaspiro[2.4]heptan-6-ol (PubChem CID 70226241) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 4,7-diazaspiro[2.4]heptan-6-ol.

Molecular Properties

Compound Name4,7-diazaspiro[2.4]heptan-6-ol
PubChem CID70226241
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name4,7-diazaspiro[2.4]heptan-6-ol
SMILESOC1CNC2(CC2)N1
InChIInChI=1S/C5H10N2O/c8-4-3-6-5(7-4)1-2-5/h4,6-8H,1-3H2
InChIKeyFLZOTHMSBGKVPF-UHFFFAOYSA-N
XLogP-1.01
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-diazaspiro[2.4]heptan-6-ol?
The IUPAC name of 4,7-diazaspiro[2.4]heptan-6-ol (CID 70226241) is 4,7-diazaspiro[2.4]heptan-6-ol.
What is the SMILES notation for 4,7-diazaspiro[2.4]heptan-6-ol?
The canonical SMILES for 4,7-diazaspiro[2.4]heptan-6-ol is OC1CNC2(CC2)N1.
What is the InChIKey of 4,7-diazaspiro[2.4]heptan-6-ol?
The InChIKey is FLZOTHMSBGKVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c8-4-3-6-5(7-4)1-2-5/h4,6-8H,1-3H2.
What are the key properties of 4,7-diazaspiro[2.4]heptan-6-ol?
4,7-diazaspiro[2.4]heptan-6-ol has a molecular weight of 114.15 g/mol, XLogP of -1.01, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diazaspiro[2.4]heptan-6-ol is sourced from PubChem (CID 70226241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).