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

C13H15NO2 — CID 163912584

IUPAC1-phenyl-1,3,4,4a,5,6-hexahydropyrrolo[1,2-c][1,3]oxazin-7-one
SMILESO=C1CCC2CCOC(c3ccccc3)N12
InChIInChI=1S/C13H15NO2/c15-12-7-6-11-8-9-16-13(14(11)12)10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
InChIKeyQTLAXVJHOYUGFY-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.10
Rot. Bonds1

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

1-phenyl-1,3,4,4a,5,6-hexahydropyrrolo[1,2-c][1,3]oxazin-7-one (PubChem CID 163912584) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-phenyl-1,3,4,4a,5,6-hexahydropyrrolo[1,2-c][1,3]oxazin-7-one.

Molecular Properties

Compound Name1-phenyl-1,3,4,4a,5,6-hexahydropyrrolo[1,2-c][1,3]oxazin-7-one
PubChem CID163912584
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-phenyl-1,3,4,4a,5,6-hexahydropyrrolo[1,2-c][1,3]oxazin-7-one
SMILESO=C1CCC2CCOC(c3ccccc3)N12
InChIInChI=1S/C13H15NO2/c15-12-7-6-11-8-9-16-13(14(11)12)10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
InChIKeyQTLAXVJHOYUGFY-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1,3,4,4a,5,6-hexahydropyrrolo[1,2-c][1,3]oxazin-7-one?
The IUPAC name of 1-phenyl-1,3,4,4a,5,6-hexahydropyrrolo[1,2-c][1,3]oxazin-7-one (CID 163912584) is 1-phenyl-1,3,4,4a,5,6-hexahydropyrrolo[1,2-c][1,3]oxazin-7-one.
What is the SMILES notation for 1-phenyl-1,3,4,4a,5,6-hexahydropyrrolo[1,2-c][1,3]oxazin-7-one?
The canonical SMILES for 1-phenyl-1,3,4,4a,5,6-hexahydropyrrolo[1,2-c][1,3]oxazin-7-one is O=C1CCC2CCOC(c3ccccc3)N12.
What is the InChIKey of 1-phenyl-1,3,4,4a,5,6-hexahydropyrrolo[1,2-c][1,3]oxazin-7-one?
The InChIKey is QTLAXVJHOYUGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-12-7-6-11-8-9-16-13(14(11)12)10-4-2-1-3-5-10/h1-5,11,13H,6-9H2.
What are the key properties of 1-phenyl-1,3,4,4a,5,6-hexahydropyrrolo[1,2-c][1,3]oxazin-7-one?
1-phenyl-1,3,4,4a,5,6-hexahydropyrrolo[1,2-c][1,3]oxazin-7-one has a molecular weight of 217.27 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1,3,4,4a,5,6-hexahydropyrrolo[1,2-c][1,3]oxazin-7-one is sourced from PubChem (CID 163912584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).