(3R,8aR)-3-hydroxy-8a-phenyl-3,4,7,8-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6-one

C13H15NO3 — CID 10657277

IUPAC(3R,8aR)-3-hydroxy-8a-phenyl-3,4,7,8-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6-one
SMILESO=C1CC[C@]2(c3ccccc3)OC[C@H](O)CN12
InChIInChI=1S/C13H15NO3/c15-11-8-14-12(16)6-7-13(14,17-9-11)10-4-2-1-3-5-10/h1-5,11,15H,6-9H2/t11-,13-/m1/s1
InChIKeyYGZWVPKZPLXBRW-DGCLKSJQSA-N
MW233.27 g/mol
LogP0.85
Rot. Bonds1

About (3R,8aR)-3-hydroxy-8a-phenyl-3,4,7,8-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6-one

(3R,8aR)-3-hydroxy-8a-phenyl-3,4,7,8-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6-one (PubChem CID 10657277) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (3R,8aR)-3-hydroxy-8a-phenyl-3,4,7,8-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6-one.

Molecular Properties

Compound Name(3R,8aR)-3-hydroxy-8a-phenyl-3,4,7,8-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6-one
PubChem CID10657277
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(3R,8aR)-3-hydroxy-8a-phenyl-3,4,7,8-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6-one
SMILESO=C1CC[C@]2(c3ccccc3)OC[C@H](O)CN12
InChIInChI=1S/C13H15NO3/c15-11-8-14-12(16)6-7-13(14,17-9-11)10-4-2-1-3-5-10/h1-5,11,15H,6-9H2/t11-,13-/m1/s1
InChIKeyYGZWVPKZPLXBRW-DGCLKSJQSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,8aR)-3-hydroxy-8a-phenyl-3,4,7,8-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6-one?
The IUPAC name of (3R,8aR)-3-hydroxy-8a-phenyl-3,4,7,8-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6-one (CID 10657277) is (3R,8aR)-3-hydroxy-8a-phenyl-3,4,7,8-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6-one.
What is the SMILES notation for (3R,8aR)-3-hydroxy-8a-phenyl-3,4,7,8-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6-one?
The canonical SMILES for (3R,8aR)-3-hydroxy-8a-phenyl-3,4,7,8-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6-one is O=C1CC[C@]2(c3ccccc3)OC[C@H](O)CN12.
What is the InChIKey of (3R,8aR)-3-hydroxy-8a-phenyl-3,4,7,8-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6-one?
The InChIKey is YGZWVPKZPLXBRW-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H15NO3/c15-11-8-14-12(16)6-7-13(14,17-9-11)10-4-2-1-3-5-10/h1-5,11,15H,6-9H2/t11-,13-/m1/s1.
What are the key properties of (3R,8aR)-3-hydroxy-8a-phenyl-3,4,7,8-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6-one?
(3R,8aR)-3-hydroxy-8a-phenyl-3,4,7,8-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6-one has a molecular weight of 233.27 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8aR)-3-hydroxy-8a-phenyl-3,4,7,8-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6-one is sourced from PubChem (CID 10657277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).