5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one

C12H16N4O2 — CID 66211676

IUPAC5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one
SMILESCC1C2CNCC2CN1C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H16N4O2/c1-7-9-3-13-2-8(9)6-16(7)12(18)10-4-15-11(17)5-14-10/h4-5,7-9,13H,2-3,6H2,1H3,(H,15,17)
InChIKeyJQAOKGJGRXLFEA-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.55
Rot. Bonds1

About 5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one

5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one (PubChem CID 66211676) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one
PubChem CID66211676
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one
SMILESCC1C2CNCC2CN1C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H16N4O2/c1-7-9-3-13-2-8(9)6-16(7)12(18)10-4-15-11(17)5-14-10/h4-5,7-9,13H,2-3,6H2,1H3,(H,15,17)
InChIKeyJQAOKGJGRXLFEA-UHFFFAOYSA-N
XLogP-0.55
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one?
The IUPAC name of 5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one (CID 66211676) is 5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one.
What is the SMILES notation for 5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one?
The canonical SMILES for 5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one is CC1C2CNCC2CN1C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one?
The InChIKey is JQAOKGJGRXLFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-7-9-3-13-2-8(9)6-16(7)12(18)10-4-15-11(17)5-14-10/h4-5,7-9,13H,2-3,6H2,1H3,(H,15,17).
What are the key properties of 5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one?
5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one has a molecular weight of 248.29 g/mol, XLogP of -0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one is sourced from PubChem (CID 66211676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).