2-[(8aS)-7-(2-methoxyacetyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]acetamide

C11H16N4O5 — CID 7682596

IUPAC2-[(8aS)-7-(2-methoxyacetyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]acetamide
SMILESCOCC(=O)N1CCN2C(=O)N(CC(N)=O)C(=O)[C@@H]2C1
InChIInChI=1S/C11H16N4O5/c1-20-6-9(17)13-2-3-14-7(4-13)10(18)15(11(14)19)5-8(12)16/h7H,2-6H2,1H3,(H2,12,16)/t7-/m0/s1
InChIKeyNVBDOSALNFIHMC-ZETCQYMHSA-N
MW284.27 g/mol
LogP-2.41
Rot. Bonds4

About 2-[(8aS)-7-(2-methoxyacetyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]acetamide

2-[(8aS)-7-(2-methoxyacetyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]acetamide (PubChem CID 7682596) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-[(8aS)-7-(2-methoxyacetyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(8aS)-7-(2-methoxyacetyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]acetamide
PubChem CID7682596
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Name2-[(8aS)-7-(2-methoxyacetyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]acetamide
SMILESCOCC(=O)N1CCN2C(=O)N(CC(N)=O)C(=O)[C@@H]2C1
InChIInChI=1S/C11H16N4O5/c1-20-6-9(17)13-2-3-14-7(4-13)10(18)15(11(14)19)5-8(12)16/h7H,2-6H2,1H3,(H2,12,16)/t7-/m0/s1
InChIKeyNVBDOSALNFIHMC-ZETCQYMHSA-N
XLogP-2.41
TPSA113.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-2.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(8aS)-7-(2-methoxyacetyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]acetamide?
The IUPAC name of 2-[(8aS)-7-(2-methoxyacetyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]acetamide (CID 7682596) is 2-[(8aS)-7-(2-methoxyacetyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]acetamide.
What is the SMILES notation for 2-[(8aS)-7-(2-methoxyacetyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]acetamide?
The canonical SMILES for 2-[(8aS)-7-(2-methoxyacetyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]acetamide is COCC(=O)N1CCN2C(=O)N(CC(N)=O)C(=O)[C@@H]2C1.
What is the InChIKey of 2-[(8aS)-7-(2-methoxyacetyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]acetamide?
The InChIKey is NVBDOSALNFIHMC-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H16N4O5/c1-20-6-9(17)13-2-3-14-7(4-13)10(18)15(11(14)19)5-8(12)16/h7H,2-6H2,1H3,(H2,12,16)/t7-/m0/s1.
What are the key properties of 2-[(8aS)-7-(2-methoxyacetyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]acetamide?
2-[(8aS)-7-(2-methoxyacetyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]acetamide has a molecular weight of 284.27 g/mol, XLogP of -2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8aS)-7-(2-methoxyacetyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]acetamide is sourced from PubChem (CID 7682596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).