(4aR,5R)-5-phenyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one

C13H15NO2 — CID 10889341

IUPAC(4aR,5R)-5-phenyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one
SMILESO=C1OCC[C@@H]2[C@@H](c3ccccc3)CCN12
InChIInChI=1S/C13H15NO2/c15-13-14-8-6-11(12(14)7-9-16-13)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-,12-/m1/s1
InChIKeyYTJPEQHDVOEBRI-VXGBXAGGSA-N
MW217.27 g/mol
LogP2.38
Rot. Bonds1

About (4aR,5R)-5-phenyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one

(4aR,5R)-5-phenyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one (PubChem CID 10889341) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (4aR,5R)-5-phenyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one.

Molecular Properties

Compound Name(4aR,5R)-5-phenyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one
PubChem CID10889341
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(4aR,5R)-5-phenyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one
SMILESO=C1OCC[C@@H]2[C@@H](c3ccccc3)CCN12
InChIInChI=1S/C13H15NO2/c15-13-14-8-6-11(12(14)7-9-16-13)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-,12-/m1/s1
InChIKeyYTJPEQHDVOEBRI-VXGBXAGGSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aR,5R)-5-phenyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one?
The IUPAC name of (4aR,5R)-5-phenyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one (CID 10889341) is (4aR,5R)-5-phenyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one.
What is the SMILES notation for (4aR,5R)-5-phenyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one?
The canonical SMILES for (4aR,5R)-5-phenyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one is O=C1OCC[C@@H]2[C@@H](c3ccccc3)CCN12.
What is the InChIKey of (4aR,5R)-5-phenyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one?
The InChIKey is YTJPEQHDVOEBRI-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H15NO2/c15-13-14-8-6-11(12(14)7-9-16-13)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-,12-/m1/s1.
What are the key properties of (4aR,5R)-5-phenyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one?
(4aR,5R)-5-phenyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one has a molecular weight of 217.27 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,5R)-5-phenyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one is sourced from PubChem (CID 10889341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).