2-hydroxy-5-(morpholine-4-carbonyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione

C11H16N4O5 — CID 118525507

IUPAC2-hydroxy-5-(morpholine-4-carbonyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione
SMILESO=C(C1CNCC2C(=O)N(O)C(=O)N12)N1CCOCC1
InChIInChI=1S/C11H16N4O5/c16-9(13-1-3-20-4-2-13)7-5-12-6-8-10(17)15(19)11(18)14(7)8/h7-8,12,19H,1-6H2
InChIKeyXUVDUXVQTIONGH-UHFFFAOYSA-N
MW284.27 g/mol
LogP-2.16
Rot. Bonds1

About 2-hydroxy-5-(morpholine-4-carbonyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione

2-hydroxy-5-(morpholine-4-carbonyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione (PubChem CID 118525507) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-hydroxy-5-(morpholine-4-carbonyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name2-hydroxy-5-(morpholine-4-carbonyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione
PubChem CID118525507
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Name2-hydroxy-5-(morpholine-4-carbonyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione
SMILESO=C(C1CNCC2C(=O)N(O)C(=O)N12)N1CCOCC1
InChIInChI=1S/C11H16N4O5/c16-9(13-1-3-20-4-2-13)7-5-12-6-8-10(17)15(19)11(18)14(7)8/h7-8,12,19H,1-6H2
InChIKeyXUVDUXVQTIONGH-UHFFFAOYSA-N
XLogP-2.16
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-2.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(morpholine-4-carbonyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione?
The IUPAC name of 2-hydroxy-5-(morpholine-4-carbonyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione (CID 118525507) is 2-hydroxy-5-(morpholine-4-carbonyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione.
What is the SMILES notation for 2-hydroxy-5-(morpholine-4-carbonyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione?
The canonical SMILES for 2-hydroxy-5-(morpholine-4-carbonyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione is O=C(C1CNCC2C(=O)N(O)C(=O)N12)N1CCOCC1.
What is the InChIKey of 2-hydroxy-5-(morpholine-4-carbonyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione?
The InChIKey is XUVDUXVQTIONGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5/c16-9(13-1-3-20-4-2-13)7-5-12-6-8-10(17)15(19)11(18)14(7)8/h7-8,12,19H,1-6H2.
What are the key properties of 2-hydroxy-5-(morpholine-4-carbonyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione?
2-hydroxy-5-(morpholine-4-carbonyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione has a molecular weight of 284.27 g/mol, XLogP of -2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(morpholine-4-carbonyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione is sourced from PubChem (CID 118525507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).