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

C8H11NO3 — CID 105434050

IUPAC5-(2-oxopropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one
SMILESCC(=O)CN1OC2(CC2)CC1=O
InChIInChI=1S/C8H11NO3/c1-6(10)5-9-7(11)4-8(12-9)2-3-8/h2-5H2,1H3
InChIKeyFFIZEQCIWXQANR-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.27
Rot. Bonds2

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

5-(2-oxopropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one (PubChem CID 105434050) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-(2-oxopropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one.

Molecular Properties

Compound Name5-(2-oxopropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one
PubChem CID105434050
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name5-(2-oxopropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one
SMILESCC(=O)CN1OC2(CC2)CC1=O
InChIInChI=1S/C8H11NO3/c1-6(10)5-9-7(11)4-8(12-9)2-3-8/h2-5H2,1H3
InChIKeyFFIZEQCIWXQANR-UHFFFAOYSA-N
XLogP0.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-oxopropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one?
The IUPAC name of 5-(2-oxopropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one (CID 105434050) is 5-(2-oxopropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one.
What is the SMILES notation for 5-(2-oxopropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one?
The canonical SMILES for 5-(2-oxopropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one is CC(=O)CN1OC2(CC2)CC1=O.
What is the InChIKey of 5-(2-oxopropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one?
The InChIKey is FFIZEQCIWXQANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-6(10)5-9-7(11)4-8(12-9)2-3-8/h2-5H2,1H3.
What are the key properties of 5-(2-oxopropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one?
5-(2-oxopropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one has a molecular weight of 169.18 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxopropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one is sourced from PubChem (CID 105434050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).