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

C11H16N4O5 — CID 118525506

IUPAC(8aS)-2-hydroxy-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESO=C(N1CCOCC1)N1CCN2C(=O)N(O)C(=O)[C@@H]2C1
InChIInChI=1S/C11H16N4O5/c16-9-8-7-13(1-2-14(8)11(18)15(9)19)10(17)12-3-5-20-6-4-12/h8,19H,1-7H2/t8-/m0/s1
InChIKeyDAZIXRSJDBNEIV-QMMMGPOBSA-N
MW284.27 g/mol
LogP-1.22
Rot. Bonds

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

(8aS)-2-hydroxy-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (PubChem CID 118525506) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is (8aS)-2-hydroxy-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name(8aS)-2-hydroxy-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
PubChem CID118525506
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Name(8aS)-2-hydroxy-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESO=C(N1CCOCC1)N1CCN2C(=O)N(O)C(=O)[C@@H]2C1
InChIInChI=1S/C11H16N4O5/c16-9-8-7-13(1-2-14(8)11(18)15(9)19)10(17)12-3-5-20-6-4-12/h8,19H,1-7H2/t8-/m0/s1
InChIKeyDAZIXRSJDBNEIV-QMMMGPOBSA-N
XLogP-1.22
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (8aS)-2-hydroxy-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The IUPAC name of (8aS)-2-hydroxy-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (CID 118525506) is (8aS)-2-hydroxy-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.
What is the SMILES notation for (8aS)-2-hydroxy-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The canonical SMILES for (8aS)-2-hydroxy-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is O=C(N1CCOCC1)N1CCN2C(=O)N(O)C(=O)[C@@H]2C1.
What is the InChIKey of (8aS)-2-hydroxy-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The InChIKey is DAZIXRSJDBNEIV-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N4O5/c16-9-8-7-13(1-2-14(8)11(18)15(9)19)10(17)12-3-5-20-6-4-12/h8,19H,1-7H2/t8-/m0/s1.
What are the key properties of (8aS)-2-hydroxy-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
(8aS)-2-hydroxy-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione has a molecular weight of 284.27 g/mol, XLogP of -1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-2-hydroxy-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is sourced from PubChem (CID 118525506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).