2-(4-aminooxolane-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C12H19N3O3 — CID 82855461

IUPAC2-(4-aminooxolane-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESNC1COCC1C(=O)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C12H19N3O3/c13-10-7-18-6-9(10)12(17)14-3-4-15-8(5-14)1-2-11(15)16/h8-10H,1-7,13H2
InChIKeyGNJSUSKLJIOZQC-UHFFFAOYSA-N
MW253.30 g/mol
LogP-1.21
Rot. Bonds1

About 2-(4-aminooxolane-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-(4-aminooxolane-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82855461) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(4-aminooxolane-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(4-aminooxolane-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82855461
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-(4-aminooxolane-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESNC1COCC1C(=O)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C12H19N3O3/c13-10-7-18-6-9(10)12(17)14-3-4-15-8(5-14)1-2-11(15)16/h8-10H,1-7,13H2
InChIKeyGNJSUSKLJIOZQC-UHFFFAOYSA-N
XLogP-1.21
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminooxolane-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(4-aminooxolane-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82855461) is 2-(4-aminooxolane-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(4-aminooxolane-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(4-aminooxolane-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is NC1COCC1C(=O)N1CCN2C(=O)CCC2C1.
What is the InChIKey of 2-(4-aminooxolane-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is GNJSUSKLJIOZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c13-10-7-18-6-9(10)12(17)14-3-4-15-8(5-14)1-2-11(15)16/h8-10H,1-7,13H2.
What are the key properties of 2-(4-aminooxolane-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-(4-aminooxolane-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 253.30 g/mol, XLogP of -1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminooxolane-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82855461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).