(8aS)-1,1-diphenyl-6,7,8,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-4-one

C19H19NO2 — CID 10891696

IUPAC(8aS)-1,1-diphenyl-6,7,8,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-4-one
SMILESO=C1COC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12
InChIInChI=1S/C19H19NO2/c21-18-14-22-19(15-8-3-1-4-9-15,16-10-5-2-6-11-16)17-12-7-13-20(17)18/h1-6,8-11,17H,7,12-14H2/t17-/m0/s1
InChIKeyNIPCLOORKPRVQF-KRWDZBQOSA-N
MW293.37 g/mol
LogP2.95
Rot. Bonds2

About (8aS)-1,1-diphenyl-6,7,8,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-4-one

(8aS)-1,1-diphenyl-6,7,8,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-4-one (PubChem CID 10891696) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (8aS)-1,1-diphenyl-6,7,8,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-4-one.

Molecular Properties

Compound Name(8aS)-1,1-diphenyl-6,7,8,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-4-one
PubChem CID10891696
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(8aS)-1,1-diphenyl-6,7,8,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-4-one
SMILESO=C1COC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12
InChIInChI=1S/C19H19NO2/c21-18-14-22-19(15-8-3-1-4-9-15,16-10-5-2-6-11-16)17-12-7-13-20(17)18/h1-6,8-11,17H,7,12-14H2/t17-/m0/s1
InChIKeyNIPCLOORKPRVQF-KRWDZBQOSA-N
XLogP2.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (8aS)-1,1-diphenyl-6,7,8,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8aS)-1,1-diphenyl-6,7,8,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-4-one?
The IUPAC name of (8aS)-1,1-diphenyl-6,7,8,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-4-one (CID 10891696) is (8aS)-1,1-diphenyl-6,7,8,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-4-one.
What is the SMILES notation for (8aS)-1,1-diphenyl-6,7,8,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-4-one?
The canonical SMILES for (8aS)-1,1-diphenyl-6,7,8,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-4-one is O=C1COC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.
What is the InChIKey of (8aS)-1,1-diphenyl-6,7,8,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-4-one?
The InChIKey is NIPCLOORKPRVQF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19NO2/c21-18-14-22-19(15-8-3-1-4-9-15,16-10-5-2-6-11-16)17-12-7-13-20(17)18/h1-6,8-11,17H,7,12-14H2/t17-/m0/s1.
What are the key properties of (8aS)-1,1-diphenyl-6,7,8,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-4-one?
(8aS)-1,1-diphenyl-6,7,8,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-4-one has a molecular weight of 293.37 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-1,1-diphenyl-6,7,8,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-4-one is sourced from PubChem (CID 10891696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).