(8aR)-2-benzyl-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

C16H19N3O4 — CID 7675196

IUPAC(8aR)-2-benzyl-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESCOCC(=O)N1CCN2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1
InChIInChI=1S/C16H19N3O4/c1-23-11-14(20)17-7-8-18-13(10-17)15(21)19(16(18)22)9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3/t13-/m1/s1
InChIKeyBYFIEBXTCOXPHK-CYBMUJFWSA-N
MW317.34 g/mol
LogP0.31
Rot. Bonds4

About (8aR)-2-benzyl-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

(8aR)-2-benzyl-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (PubChem CID 7675196) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is (8aR)-2-benzyl-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name(8aR)-2-benzyl-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
PubChem CID7675196
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC Name(8aR)-2-benzyl-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESCOCC(=O)N1CCN2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1
InChIInChI=1S/C16H19N3O4/c1-23-11-14(20)17-7-8-18-13(10-17)15(21)19(16(18)22)9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3/t13-/m1/s1
InChIKeyBYFIEBXTCOXPHK-CYBMUJFWSA-N
XLogP0.31
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8aR)-2-benzyl-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The IUPAC name of (8aR)-2-benzyl-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (CID 7675196) is (8aR)-2-benzyl-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.
What is the SMILES notation for (8aR)-2-benzyl-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The canonical SMILES for (8aR)-2-benzyl-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is COCC(=O)N1CCN2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1.
What is the InChIKey of (8aR)-2-benzyl-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The InChIKey is BYFIEBXTCOXPHK-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-23-11-14(20)17-7-8-18-13(10-17)15(21)19(16(18)22)9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3/t13-/m1/s1.
What are the key properties of (8aR)-2-benzyl-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
(8aR)-2-benzyl-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione has a molecular weight of 317.34 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-benzyl-7-(2-methoxyacetyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is sourced from PubChem (CID 7675196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).