(8aR)-2-propyl-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4,7-trione

C10H14N2O3 — CID 165486723

IUPAC(8aR)-2-propyl-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4,7-trione
SMILESCCCN1CC(=O)N2CC(=O)C[C@@H]2C1=O
InChIInChI=1S/C10H14N2O3/c1-2-3-11-6-9(14)12-5-7(13)4-8(12)10(11)15/h8H,2-6H2,1H3/t8-/m1/s1
InChIKeyHMISXTROVGSMHF-MRVPVSSYSA-N
MW210.23 g/mol
LogP-0.59
Rot. Bonds2

About (8aR)-2-propyl-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4,7-trione

(8aR)-2-propyl-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4,7-trione (PubChem CID 165486723) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is (8aR)-2-propyl-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4,7-trione.

Molecular Properties

Compound Name(8aR)-2-propyl-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4,7-trione
PubChem CID165486723
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name(8aR)-2-propyl-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4,7-trione
SMILESCCCN1CC(=O)N2CC(=O)C[C@@H]2C1=O
InChIInChI=1S/C10H14N2O3/c1-2-3-11-6-9(14)12-5-7(13)4-8(12)10(11)15/h8H,2-6H2,1H3/t8-/m1/s1
InChIKeyHMISXTROVGSMHF-MRVPVSSYSA-N
XLogP-0.59
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8aR)-2-propyl-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4,7-trione?
The IUPAC name of (8aR)-2-propyl-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4,7-trione (CID 165486723) is (8aR)-2-propyl-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4,7-trione.
What is the SMILES notation for (8aR)-2-propyl-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4,7-trione?
The canonical SMILES for (8aR)-2-propyl-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4,7-trione is CCCN1CC(=O)N2CC(=O)C[C@@H]2C1=O.
What is the InChIKey of (8aR)-2-propyl-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4,7-trione?
The InChIKey is HMISXTROVGSMHF-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-3-11-6-9(14)12-5-7(13)4-8(12)10(11)15/h8H,2-6H2,1H3/t8-/m1/s1.
What are the key properties of (8aR)-2-propyl-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4,7-trione?
(8aR)-2-propyl-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4,7-trione has a molecular weight of 210.23 g/mol, XLogP of -0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-propyl-3,6,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4,7-trione is sourced from PubChem (CID 165486723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).