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

C7H11NO3 — CID 105430617

IUPAC5-(2-hydroxyethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one
SMILESO=C1CC2(CC2)ON1CCO
InChIInChI=1S/C7H11NO3/c9-4-3-8-6(10)5-7(11-8)1-2-7/h9H,1-5H2
InChIKeyJAMOGESJWSORPJ-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.32
Rot. Bonds2

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

5-(2-hydroxyethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one (PubChem CID 105430617) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one
PubChem CID105430617
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name5-(2-hydroxyethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one
SMILESO=C1CC2(CC2)ON1CCO
InChIInChI=1S/C7H11NO3/c9-4-3-8-6(10)5-7(11-8)1-2-7/h9H,1-5H2
InChIKeyJAMOGESJWSORPJ-UHFFFAOYSA-N
XLogP-0.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one?
The IUPAC name of 5-(2-hydroxyethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one (CID 105430617) is 5-(2-hydroxyethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one?
The canonical SMILES for 5-(2-hydroxyethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one is O=C1CC2(CC2)ON1CCO.
What is the InChIKey of 5-(2-hydroxyethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one?
The InChIKey is JAMOGESJWSORPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c9-4-3-8-6(10)5-7(11-8)1-2-7/h9H,1-5H2.
What are the key properties of 5-(2-hydroxyethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one?
5-(2-hydroxyethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one has a molecular weight of 157.17 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one is sourced from PubChem (CID 105430617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).