2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1H-pyrimidin-6-one

C11H15N3O2 — CID 79077378

IUPAC2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2CN3CCCC3CO2)[nH]1
InChIInChI=1S/C11H15N3O2/c15-10-3-4-12-11(13-10)9-6-14-5-1-2-8(14)7-16-9/h3-4,8-9H,1-2,5-7H2,(H,12,13,15)
InChIKeyLGGAGEMCVTUFGT-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.31
Rot. Bonds1

About 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1H-pyrimidin-6-one

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1H-pyrimidin-6-one (PubChem CID 79077378) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1H-pyrimidin-6-one
PubChem CID79077378
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2CN3CCCC3CO2)[nH]1
InChIInChI=1S/C11H15N3O2/c15-10-3-4-12-11(13-10)9-6-14-5-1-2-8(14)7-16-9/h3-4,8-9H,1-2,5-7H2,(H,12,13,15)
InChIKeyLGGAGEMCVTUFGT-UHFFFAOYSA-N
XLogP0.31
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1H-pyrimidin-6-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 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1H-pyrimidin-6-one (CID 79077378) is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1H-pyrimidin-6-one is O=c1ccnc(C2CN3CCCC3CO2)[nH]1.
What is the InChIKey of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1H-pyrimidin-6-one?
The InChIKey is LGGAGEMCVTUFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-10-3-4-12-11(13-10)9-6-14-5-1-2-8(14)7-16-9/h3-4,8-9H,1-2,5-7H2,(H,12,13,15).
What are the key properties of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1H-pyrimidin-6-one?
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1H-pyrimidin-6-one has a molecular weight of 221.26 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79077378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).