N-(3,3-dimethyl-1,4-dioxo-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide

C12H19N3O4 — CID 5151573

IUPACN-(3,3-dimethyl-1,4-dioxo-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN2C(=O)C(C)(C)NC(=O)C12
InChIInChI=1S/C12H19N3O4/c1-12(2)11(18)15-5-4-7(9(15)10(17)14-12)13-8(16)6-19-3/h7,9H,4-6H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyGJACXXOCYHIXGM-UHFFFAOYSA-N
MW269.30 g/mol
LogP-1.37
Rot. Bonds3

About N-(3,3-dimethyl-1,4-dioxo-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide

N-(3,3-dimethyl-1,4-dioxo-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide (PubChem CID 5151573) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(3,3-dimethyl-1,4-dioxo-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-1,4-dioxo-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide
PubChem CID5151573
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC NameN-(3,3-dimethyl-1,4-dioxo-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN2C(=O)C(C)(C)NC(=O)C12
InChIInChI=1S/C12H19N3O4/c1-12(2)11(18)15-5-4-7(9(15)10(17)14-12)13-8(16)6-19-3/h7,9H,4-6H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyGJACXXOCYHIXGM-UHFFFAOYSA-N
XLogP-1.37
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4R,7S,8aS)-7-[(2-methoxyacetyl)amino]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-cyclopropylpropanamide
CID 26762722
Gallaecimonamide B
CID 156582501
N,2-dimethyl-2-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propanamide
CID 75411482
(8aS)-3-Methoxyhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 15383655
(S)-hexahydro-1'H-spiro[oxetane-3,4'-pyrrolo[1,2-a]pyrazin]-1'-one
CID 124249084
3-[(4R,7S,8aS)-7-[(2-methoxyacetyl)amino]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-propan-2-ylpropanamide
CID 26762041
N-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrrolidine-2-carboxamide
CID 68845927
N-[1-(2-methoxyacetyl)piperidin-3-yl]pyrrolidine-2-carboxamide
CID 68845929
1-(2-methoxyethyl)-N-piperidin-4-yl-N-propylpyrrolidine-2-carboxamide
CID 71024381
(2S)-N-[1-(2-methoxyacetyl)piperidin-3-yl]pyrrolidine-2-carboxamide
CID 71133178
1-[2-[(2-Methoxyacetyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 117876920
(3S,4S,8aS)-N-tert-butyl-3-methyl-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazine-4-carboxamide
CID 129133700

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1,4-dioxo-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide?
The IUPAC name of N-(3,3-dimethyl-1,4-dioxo-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide (CID 5151573) is N-(3,3-dimethyl-1,4-dioxo-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide.
What is the SMILES notation for N-(3,3-dimethyl-1,4-dioxo-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide?
The canonical SMILES for N-(3,3-dimethyl-1,4-dioxo-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide is COCC(=O)NC1CCN2C(=O)C(C)(C)NC(=O)C12.
What is the InChIKey of N-(3,3-dimethyl-1,4-dioxo-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide?
The InChIKey is GJACXXOCYHIXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-12(2)11(18)15-5-4-7(9(15)10(17)14-12)13-8(16)6-19-3/h7,9H,4-6H2,1-3H3,(H,13,16)(H,14,17).
What are the key properties of N-(3,3-dimethyl-1,4-dioxo-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide?
N-(3,3-dimethyl-1,4-dioxo-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide has a molecular weight of 269.30 g/mol, XLogP of -1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1,4-dioxo-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide is sourced from PubChem (CID 5151573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).