5-(3-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one

C8H13NO3 — CID 105434712

IUPAC5-(3-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one
SMILESO=C1CC2(CC2)ON1CCCO
InChIInChI=1S/C8H13NO3/c10-5-1-4-9-7(11)6-8(12-9)2-3-8/h10H,1-6H2
InChIKeyGZEMRVVWHOHJRR-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.07
Rot. Bonds3

About 5-(3-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one

5-(3-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one (PubChem CID 105434712) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 5-(3-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one.

Molecular Properties

Compound Name5-(3-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one
PubChem CID105434712
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name5-(3-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one
SMILESO=C1CC2(CC2)ON1CCCO
InChIInChI=1S/C8H13NO3/c10-5-1-4-9-7(11)6-8(12-9)2-3-8/h10H,1-6H2
InChIKeyGZEMRVVWHOHJRR-UHFFFAOYSA-N
XLogP0.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one?
The IUPAC name of 5-(3-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one (CID 105434712) is 5-(3-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one.
What is the SMILES notation for 5-(3-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one?
The canonical SMILES for 5-(3-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one is O=C1CC2(CC2)ON1CCCO.
What is the InChIKey of 5-(3-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one?
The InChIKey is GZEMRVVWHOHJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-5-1-4-9-7(11)6-8(12-9)2-3-8/h10H,1-6H2.
What are the key properties of 5-(3-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one?
5-(3-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one has a molecular weight of 171.20 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one is sourced from PubChem (CID 105434712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).