4-hydroxy-6-methyl-2-phenyl-1-oxa-6-azaspiro[2.4]heptane-5,7-dione

C12H11NO4 — CID 11139021

IUPAC4-hydroxy-6-methyl-2-phenyl-1-oxa-6-azaspiro[2.4]heptane-5,7-dione
SMILESCN1C(=O)C(O)C2(OC2c2ccccc2)C1=O
InChIInChI=1S/C12H11NO4/c1-13-10(15)8(14)12(11(13)16)9(17-12)7-5-3-2-4-6-7/h2-6,8-9,14H,1H3
InChIKeyIPZLTCPLAKATSH-UHFFFAOYSA-N
MW233.22 g/mol
LogP-0.14
Rot. Bonds1

About 4-hydroxy-6-methyl-2-phenyl-1-oxa-6-azaspiro[2.4]heptane-5,7-dione

4-hydroxy-6-methyl-2-phenyl-1-oxa-6-azaspiro[2.4]heptane-5,7-dione (PubChem CID 11139021) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-2-phenyl-1-oxa-6-azaspiro[2.4]heptane-5,7-dione.

Molecular Properties

Compound Name4-hydroxy-6-methyl-2-phenyl-1-oxa-6-azaspiro[2.4]heptane-5,7-dione
PubChem CID11139021
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name4-hydroxy-6-methyl-2-phenyl-1-oxa-6-azaspiro[2.4]heptane-5,7-dione
SMILESCN1C(=O)C(O)C2(OC2c2ccccc2)C1=O
InChIInChI=1S/C12H11NO4/c1-13-10(15)8(14)12(11(13)16)9(17-12)7-5-3-2-4-6-7/h2-6,8-9,14H,1H3
InChIKeyIPZLTCPLAKATSH-UHFFFAOYSA-N
XLogP-0.14
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-2-phenyl-1-oxa-6-azaspiro[2.4]heptane-5,7-dione?
The IUPAC name of 4-hydroxy-6-methyl-2-phenyl-1-oxa-6-azaspiro[2.4]heptane-5,7-dione (CID 11139021) is 4-hydroxy-6-methyl-2-phenyl-1-oxa-6-azaspiro[2.4]heptane-5,7-dione.
What is the SMILES notation for 4-hydroxy-6-methyl-2-phenyl-1-oxa-6-azaspiro[2.4]heptane-5,7-dione?
The canonical SMILES for 4-hydroxy-6-methyl-2-phenyl-1-oxa-6-azaspiro[2.4]heptane-5,7-dione is CN1C(=O)C(O)C2(OC2c2ccccc2)C1=O.
What is the InChIKey of 4-hydroxy-6-methyl-2-phenyl-1-oxa-6-azaspiro[2.4]heptane-5,7-dione?
The InChIKey is IPZLTCPLAKATSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-13-10(15)8(14)12(11(13)16)9(17-12)7-5-3-2-4-6-7/h2-6,8-9,14H,1H3.
What are the key properties of 4-hydroxy-6-methyl-2-phenyl-1-oxa-6-azaspiro[2.4]heptane-5,7-dione?
4-hydroxy-6-methyl-2-phenyl-1-oxa-6-azaspiro[2.4]heptane-5,7-dione has a molecular weight of 233.22 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-2-phenyl-1-oxa-6-azaspiro[2.4]heptane-5,7-dione is sourced from PubChem (CID 11139021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).