5-(2-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one

C8H13NO3 — CID 105434713

IUPAC5-(2-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one
SMILESCC(O)CN1OC2(CC2)CC1=O
InChIInChI=1S/C8H13NO3/c1-6(10)5-9-7(11)4-8(12-9)2-3-8/h6,10H,2-5H2,1H3
InChIKeyXUESHTWXPUKRDL-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.06
Rot. Bonds2

About 5-(2-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one

5-(2-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one (PubChem CID 105434713) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 5-(2-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one.

Molecular Properties

Compound Name5-(2-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one
PubChem CID105434713
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name5-(2-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one
SMILESCC(O)CN1OC2(CC2)CC1=O
InChIInChI=1S/C8H13NO3/c1-6(10)5-9-7(11)4-8(12-9)2-3-8/h6,10H,2-5H2,1H3
InChIKeyXUESHTWXPUKRDL-UHFFFAOYSA-N
XLogP0.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one?
The IUPAC name of 5-(2-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one (CID 105434713) is 5-(2-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one.
What is the SMILES notation for 5-(2-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one?
The canonical SMILES for 5-(2-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one is CC(O)CN1OC2(CC2)CC1=O.
What is the InChIKey of 5-(2-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one?
The InChIKey is XUESHTWXPUKRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-6(10)5-9-7(11)4-8(12-9)2-3-8/h6,10H,2-5H2,1H3.
What are the key properties of 5-(2-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one?
5-(2-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one has a molecular weight of 171.20 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one is sourced from PubChem (CID 105434713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).