8-hydroxy-8-phenyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one

C13H15NO3 — CID 559801

IUPAC8-hydroxy-8-phenyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one
SMILESO=C1CC(O)(c2ccccc2)C2COCCN12
InChIInChI=1S/C13H15NO3/c15-12-8-13(16,10-4-2-1-3-5-10)11-9-17-7-6-14(11)12/h1-5,11,16H,6-9H2
InChIKeyOZTJTRKPCFSXSV-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.51
Rot. Bonds1

About 8-hydroxy-8-phenyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one

8-hydroxy-8-phenyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one (PubChem CID 559801) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 8-hydroxy-8-phenyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one.

Molecular Properties

Compound Name8-hydroxy-8-phenyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one
PubChem CID559801
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name8-hydroxy-8-phenyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one
SMILESO=C1CC(O)(c2ccccc2)C2COCCN12
InChIInChI=1S/C13H15NO3/c15-12-8-13(16,10-4-2-1-3-5-10)11-9-17-7-6-14(11)12/h1-5,11,16H,6-9H2
InChIKeyOZTJTRKPCFSXSV-UHFFFAOYSA-N
XLogP0.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-8-phenyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one?
The IUPAC name of 8-hydroxy-8-phenyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one (CID 559801) is 8-hydroxy-8-phenyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one.
What is the SMILES notation for 8-hydroxy-8-phenyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one?
The canonical SMILES for 8-hydroxy-8-phenyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one is O=C1CC(O)(c2ccccc2)C2COCCN12.
What is the InChIKey of 8-hydroxy-8-phenyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one?
The InChIKey is OZTJTRKPCFSXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-12-8-13(16,10-4-2-1-3-5-10)11-9-17-7-6-14(11)12/h1-5,11,16H,6-9H2.
What are the key properties of 8-hydroxy-8-phenyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one?
8-hydroxy-8-phenyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one has a molecular weight of 233.27 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-8-phenyl-3,4,7,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-one is sourced from PubChem (CID 559801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).