N-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide

C13H21N3O4 — CID 3836746

IUPACN-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN2C(=O)C(C(C)C)NC(=O)C12
InChIInChI=1S/C13H21N3O4/c1-7(2)10-13(19)16-5-4-8(11(16)12(18)15-10)14-9(17)6-20-3/h7-8,10-11H,4-6H2,1-3H3,(H,14,17)(H,15,18)
InChIKeySSZFDBGDZXBZRB-UHFFFAOYSA-N
MW283.33 g/mol
LogP-1.13
Rot. Bonds4

About N-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide

N-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide (PubChem CID 3836746) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide
PubChem CID3836746
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC NameN-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN2C(=O)C(C(C)C)NC(=O)C12
InChIInChI=1S/C13H21N3O4/c1-7(2)10-13(19)16-5-4-8(11(16)12(18)15-10)14-9(17)6-20-3/h7-8,10-11H,4-6H2,1-3H3,(H,14,17)(H,15,18)
InChIKeySSZFDBGDZXBZRB-UHFFFAOYSA-N
XLogP-1.13
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide?
The IUPAC name of N-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide (CID 3836746) is N-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide.
What is the SMILES notation for N-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide?
The canonical SMILES for N-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide is COCC(=O)NC1CCN2C(=O)C(C(C)C)NC(=O)C12.
What is the InChIKey of N-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide?
The InChIKey is SSZFDBGDZXBZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-7(2)10-13(19)16-5-4-8(11(16)12(18)15-10)14-9(17)6-20-3/h7-8,10-11H,4-6H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of N-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide?
N-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide has a molecular weight of 283.33 g/mol, XLogP of -1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide is sourced from PubChem (CID 3836746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).