4-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one

C8H11NO3 — CID 89405299

IUPAC4-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=C(O)C2(CCCOC2)N1
InChIInChI=1S/C8H11NO3/c10-6-4-7(11)9-8(6)2-1-3-12-5-8/h4,10H,1-3,5H2,(H,9,11)
InChIKeySRZRTIDAAVVGOG-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.11
Rot. Bonds

About 4-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one

4-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one (PubChem CID 89405299) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one
PubChem CID89405299
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name4-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=C(O)C2(CCCOC2)N1
InChIInChI=1S/C8H11NO3/c10-6-4-7(11)9-8(6)2-1-3-12-5-8/h4,10H,1-3,5H2,(H,9,11)
InChIKeySRZRTIDAAVVGOG-UHFFFAOYSA-N
XLogP0.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one (CID 89405299) is 4-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one is O=C1C=C(O)C2(CCCOC2)N1.
What is the InChIKey of 4-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is SRZRTIDAAVVGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c10-6-4-7(11)9-8(6)2-1-3-12-5-8/h4,10H,1-3,5H2,(H,9,11).
What are the key properties of 4-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one?
4-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 169.18 g/mol, XLogP of 0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 89405299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).