6-(2-hydroxyphenyl)-1-oxa-6-azaspiro[4.4]nonane-2,7-dione

C13H13NO4 — CID 23044514

IUPAC6-(2-hydroxyphenyl)-1-oxa-6-azaspiro[4.4]nonane-2,7-dione
SMILESO=C1CCC2(CCC(=O)N2c2ccccc2O)O1
InChIInChI=1S/C13H13NO4/c15-10-4-2-1-3-9(10)14-11(16)5-7-13(14)8-6-12(17)18-13/h1-4,15H,5-8H2
InChIKeyJGYCNAKOHNINPW-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.55
Rot. Bonds1

About 6-(2-hydroxyphenyl)-1-oxa-6-azaspiro[4.4]nonane-2,7-dione

6-(2-hydroxyphenyl)-1-oxa-6-azaspiro[4.4]nonane-2,7-dione (PubChem CID 23044514) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 6-(2-hydroxyphenyl)-1-oxa-6-azaspiro[4.4]nonane-2,7-dione.

Molecular Properties

Compound Name6-(2-hydroxyphenyl)-1-oxa-6-azaspiro[4.4]nonane-2,7-dione
PubChem CID23044514
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name6-(2-hydroxyphenyl)-1-oxa-6-azaspiro[4.4]nonane-2,7-dione
SMILESO=C1CCC2(CCC(=O)N2c2ccccc2O)O1
InChIInChI=1S/C13H13NO4/c15-10-4-2-1-3-9(10)14-11(16)5-7-13(14)8-6-12(17)18-13/h1-4,15H,5-8H2
InChIKeyJGYCNAKOHNINPW-UHFFFAOYSA-N
XLogP1.55
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyphenyl)-1-oxa-6-azaspiro[4.4]nonane-2,7-dione?
The IUPAC name of 6-(2-hydroxyphenyl)-1-oxa-6-azaspiro[4.4]nonane-2,7-dione (CID 23044514) is 6-(2-hydroxyphenyl)-1-oxa-6-azaspiro[4.4]nonane-2,7-dione.
What is the SMILES notation for 6-(2-hydroxyphenyl)-1-oxa-6-azaspiro[4.4]nonane-2,7-dione?
The canonical SMILES for 6-(2-hydroxyphenyl)-1-oxa-6-azaspiro[4.4]nonane-2,7-dione is O=C1CCC2(CCC(=O)N2c2ccccc2O)O1.
What is the InChIKey of 6-(2-hydroxyphenyl)-1-oxa-6-azaspiro[4.4]nonane-2,7-dione?
The InChIKey is JGYCNAKOHNINPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c15-10-4-2-1-3-9(10)14-11(16)5-7-13(14)8-6-12(17)18-13/h1-4,15H,5-8H2.
What are the key properties of 6-(2-hydroxyphenyl)-1-oxa-6-azaspiro[4.4]nonane-2,7-dione?
6-(2-hydroxyphenyl)-1-oxa-6-azaspiro[4.4]nonane-2,7-dione has a molecular weight of 247.25 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyphenyl)-1-oxa-6-azaspiro[4.4]nonane-2,7-dione is sourced from PubChem (CID 23044514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).