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

C12H16N4O2 — CID 43595368

IUPAC5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrazin-2-one
SMILESCC1CC2CNCC2N1C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H16N4O2/c1-7-2-8-3-13-5-10(8)16(7)12(18)9-4-15-11(17)6-14-9/h4,6-8,10,13H,2-3,5H2,1H3,(H,15,17)
InChIKeyVYKGJXLDJOJBBB-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.41
Rot. Bonds1

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

5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrazin-2-one (PubChem CID 43595368) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrazin-2-one
PubChem CID43595368
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrazin-2-one
SMILESCC1CC2CNCC2N1C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H16N4O2/c1-7-2-8-3-13-5-10(8)16(7)12(18)9-4-15-11(17)6-14-9/h4,6-8,10,13H,2-3,5H2,1H3,(H,15,17)
InChIKeyVYKGJXLDJOJBBB-UHFFFAOYSA-N
XLogP-0.41
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 ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

5-[(3R,4S)-3-amino-4-propylpyrrolidine-1-carbonyl]-1H-pyrazin-2-one
CID 72925848
5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrazin-2-one
CID 43594544
4-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1,3-dihydroimidazol-2-one
CID 43595369
5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrazin-2-one
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5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrazin-2-one
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N-[2-(aminomethyl)cyclopentyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 65818003
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-oxo-1H-pyrazine-3-carboxamide
CID 65826932
N-[2-(aminomethyl)cyclopentyl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide
CID 65851464
5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one
CID 66209086
5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrazin-2-one
CID 66211676

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrazin-2-one?
The IUPAC name of 5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrazin-2-one (CID 43595368) is 5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrazin-2-one.
What is the SMILES notation for 5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrazin-2-one?
The canonical SMILES for 5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrazin-2-one is CC1CC2CNCC2N1C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrazin-2-one?
The InChIKey is VYKGJXLDJOJBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-7-2-8-3-13-5-10(8)16(7)12(18)9-4-15-11(17)6-14-9/h4,6-8,10,13H,2-3,5H2,1H3,(H,15,17).
What are the key properties of 5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrazin-2-one?
5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrazin-2-one has a molecular weight of 248.29 g/mol, XLogP of -0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrazin-2-one is sourced from PubChem (CID 43595368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).