(4R)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4,6,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-1-one

C21H19NO2 — CID 23806230

IUPAC(4R)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4,6,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-1-one
SMILESO=C1OC[C@@H](c2ccccc2)N2CC(/C=C/c3ccccc3)=CC12
InChIInChI=1S/C21H19NO2/c23-21-19-13-17(12-11-16-7-3-1-4-8-16)14-22(19)20(15-24-21)18-9-5-2-6-10-18/h1-13,19-20H,14-15H2/b12-11+/t19?,20-/m0/s1
InChIKeyAOLGDVPLJHZZOI-PDJHDMMNSA-N
MW317.39 g/mol
LogP3.61
Rot. Bonds3

About (4R)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4,6,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-1-one

(4R)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4,6,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-1-one (PubChem CID 23806230) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (4R)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4,6,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-1-one.

Molecular Properties

Compound Name(4R)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4,6,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-1-one
PubChem CID23806230
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name(4R)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4,6,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-1-one
SMILESO=C1OC[C@@H](c2ccccc2)N2CC(/C=C/c3ccccc3)=CC12
InChIInChI=1S/C21H19NO2/c23-21-19-13-17(12-11-16-7-3-1-4-8-16)14-22(19)20(15-24-21)18-9-5-2-6-10-18/h1-13,19-20H,14-15H2/b12-11+/t19?,20-/m0/s1
InChIKeyAOLGDVPLJHZZOI-PDJHDMMNSA-N
XLogP3.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4,6,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-1-one?
The IUPAC name of (4R)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4,6,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-1-one (CID 23806230) is (4R)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4,6,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-1-one.
What is the SMILES notation for (4R)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4,6,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-1-one?
The canonical SMILES for (4R)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4,6,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-1-one is O=C1OC[C@@H](c2ccccc2)N2CC(/C=C/c3ccccc3)=CC12.
What is the InChIKey of (4R)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4,6,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-1-one?
The InChIKey is AOLGDVPLJHZZOI-PDJHDMMNSA-N. The full InChI is InChI=1S/C21H19NO2/c23-21-19-13-17(12-11-16-7-3-1-4-8-16)14-22(19)20(15-24-21)18-9-5-2-6-10-18/h1-13,19-20H,14-15H2/b12-11+/t19?,20-/m0/s1.
What are the key properties of (4R)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4,6,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-1-one?
(4R)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4,6,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-1-one has a molecular weight of 317.39 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4,6,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-1-one is sourced from PubChem (CID 23806230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).