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

C8H11NO3 — CID 89405298

IUPAC6-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=CC2(COCCC2O)N1
InChIInChI=1S/C8H11NO3/c10-6-2-4-12-5-8(6)3-1-7(11)9-8/h1,3,6,10H,2,4-5H2,(H,9,11)
InChIKeySRFUZMPIVOPPDB-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.81
Rot. Bonds

About 6-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one

6-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one (PubChem CID 89405298) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 6-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name6-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one
PubChem CID89405298
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name6-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=CC2(COCCC2O)N1
InChIInChI=1S/C8H11NO3/c10-6-2-4-12-5-8(6)3-1-7(11)9-8/h1,3,6,10H,2,4-5H2,(H,9,11)
InChIKeySRFUZMPIVOPPDB-UHFFFAOYSA-N
XLogP-0.81
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 ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxaspiro[5.6]dodecan-5-ol
CID 82406501
4-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one
CID 89405299
1,7-diazaspiro[4.4]nona-3,8-dien-2-one
CID 134823981
(4R)-3,3,4-trihydroxyoxan-2-one
CID 89299537
2-(3,3-dimethyloxan-4-yl)-3-methyl-1H-pyrazol-5-one
CID 137407975
(1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one
CID 129413407
(8aR)-8a-hydroxy-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one
CID 93495867
2-oxa-9-azaspiro[4.5]decan-6-ol
CID 82415907
(1R,6R)-6,9,9-trimethyl-2-azabicyclo[4.2.1]non-4-en-3-one
CID 130920569
3,3-dimethyl-4-(oxolan-3-yl)azetidin-2-one
CID 126983039
(4S,5R)-4,5-dihydroxy-4-methylcyclohex-2-en-1-one
CID 164781620
(4aR)-4a,5,6-trimethyl-5,6,7,8-tetrahydronaphthalen-2-one
CID 15882108

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 6-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one (CID 89405298) is 6-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 6-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 6-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one is O=C1C=CC2(COCCC2O)N1.
What is the InChIKey of 6-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is SRFUZMPIVOPPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c10-6-2-4-12-5-8(6)3-1-7(11)9-8/h1,3,6,10H,2,4-5H2,(H,9,11).
What are the key properties of 6-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one?
6-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 169.18 g/mol, XLogP of -0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-9-oxa-1-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 89405298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).