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

C11H17N3O4 — CID 3701586

IUPAC2-methoxy-N-(2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-8-yl)acetamide
SMILESCOCC(=O)NC1CCN2C(=O)CN(C)C(=O)C12
InChIInChI=1S/C11H17N3O4/c1-13-5-9(16)14-4-3-7(10(14)11(13)17)12-8(15)6-18-2/h7,10H,3-6H2,1-2H3,(H,12,15)
InChIKeyCSODAEHHNBTFKF-UHFFFAOYSA-N
MW255.27 g/mol
LogP-1.81
Rot. Bonds3

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

2-methoxy-N-(2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-8-yl)acetamide (PubChem CID 3701586) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-methoxy-N-(2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-8-yl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-8-yl)acetamide
PubChem CID3701586
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-methoxy-N-(2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-8-yl)acetamide
SMILESCOCC(=O)NC1CCN2C(=O)CN(C)C(=O)C12
InChIInChI=1S/C11H17N3O4/c1-13-5-9(16)14-4-3-7(10(14)11(13)17)12-8(15)6-18-2/h7,10H,3-6H2,1-2H3,(H,12,15)
InChIKeyCSODAEHHNBTFKF-UHFFFAOYSA-N
XLogP-1.81
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-1.81
H-Bond Donors ≤ 51
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-Methoxyethyl)-5-oxo-1-(piperidin-4-YL)pyrrolidine-2-carboxamide
CID 86820482
(8aS)-3-Methoxyhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 15383655
(2S,4R)-4-amino-N,N-diethyl-1-(methoxyacetyl)pyrrolidine-2-carboxamide
CID 56706730
(2S,4S)-4-amino-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolidine-2-carboxamide
CID 56707334
1-[4-(4,4-Difluoropyrrolidine-2-carbonyl)piperazin-1-yl]-2-methoxyethanone;hydrochloride
CID 120347747
1-[4-(4,4-Difluoropyrrolidine-2-carbonyl)piperazin-1-yl]-2-methoxyethanone
CID 120347748
3-[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 120963348
(2S)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 9423832
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
(2S,4S)-4-amino-1-(butoxyacetyl)-N-isopropylpyrrolidine-2-carboxamide
CID 56703245

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-8-yl)acetamide?
The IUPAC name of 2-methoxy-N-(2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-8-yl)acetamide (CID 3701586) is 2-methoxy-N-(2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-8-yl)acetamide.
What is the SMILES notation for 2-methoxy-N-(2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-8-yl)acetamide?
The canonical SMILES for 2-methoxy-N-(2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-8-yl)acetamide is COCC(=O)NC1CCN2C(=O)CN(C)C(=O)C12.
What is the InChIKey of 2-methoxy-N-(2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-8-yl)acetamide?
The InChIKey is CSODAEHHNBTFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-13-5-9(16)14-4-3-7(10(14)11(13)17)12-8(15)6-18-2/h7,10H,3-6H2,1-2H3,(H,12,15).
What are the key properties of 2-methoxy-N-(2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-8-yl)acetamide?
2-methoxy-N-(2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-8-yl)acetamide has a molecular weight of 255.27 g/mol, XLogP of -1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-8-yl)acetamide is sourced from PubChem (CID 3701586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).