(8aS)-3-methoxy-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

C8H12N2O3 — CID 15383655

IUPAC(8aS)-3-methoxy-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCOC1NC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C8H12N2O3/c1-13-7-8(12)10-4-2-3-5(10)6(11)9-7/h5,7H,2-4H2,1H3,(H,9,11)/t5-,7?/m0/s1
InChIKeyPZKFPDJUJPYIFG-DSEUIKHZSA-N
MW184.19 g/mol
LogP-0.92
Rot. Bonds1

About (8aS)-3-methoxy-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

(8aS)-3-methoxy-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 15383655) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is (8aS)-3-methoxy-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name(8aS)-3-methoxy-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID15383655
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name(8aS)-3-methoxy-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCOC1NC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C8H12N2O3/c1-13-7-8(12)10-4-2-3-5(10)6(11)9-7/h5,7H,2-4H2,1H3,(H,9,11)/t5-,7?/m0/s1
InChIKeyPZKFPDJUJPYIFG-DSEUIKHZSA-N
XLogP-0.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (8aS)-3-methoxy-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione with MolForge

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Related Compounds

3-Methyl-octahydropyrrolo(1,2-a)piperazine-1,4-dione
CID 6428987
Cyclo(-D-Ala-L-Pro)
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(3S,8As)-3-Methylhexahydropyrrolo(1,2-A)Pyrazine-1,4-Dione
CID 13879951
(3S,8aR)-3-methyl-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione
CID 5325711
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-(4-morpholinyl)ethyl]-2-pyrrolidinecarboxamide
CID 17908651
4-(Pyrrolidin-2-ylcarbonyl)morpholine
CID 6421035
(3R,8aR)-3-methyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 7408396
(3R,8aS)-3-ethyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 91560518
(S)-hexahydro-1'H-spiro[oxetane-3,4'-pyrrolo[1,2-a]pyrazin]-1'-one
CID 124249084
N-prolyl-2,5-diketomorpholine
CID 129875025

Frequently Asked Questions

What is the IUPAC name of (8aS)-3-methoxy-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of (8aS)-3-methoxy-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione (CID 15383655) is (8aS)-3-methoxy-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for (8aS)-3-methoxy-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for (8aS)-3-methoxy-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione is COC1NC(=O)[C@@H]2CCCN2C1=O.
What is the InChIKey of (8aS)-3-methoxy-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is PZKFPDJUJPYIFG-DSEUIKHZSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-13-7-8(12)10-4-2-3-5(10)6(11)9-7/h5,7H,2-4H2,1H3,(H,9,11)/t5-,7?/m0/s1.
What are the key properties of (8aS)-3-methoxy-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione?
(8aS)-3-methoxy-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 184.19 g/mol, XLogP of -0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-3-methoxy-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 15383655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).