2-(3-amino-2-methylpropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C11H19N3O2 — CID 82856716

IUPAC2-(3-amino-2-methylpropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCC(CN)C(=O)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C11H19N3O2/c1-8(6-12)11(16)13-4-5-14-9(7-13)2-3-10(14)15/h8-9H,2-7,12H2,1H3
InChIKeyBWBONGOBBGSCSV-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.59
Rot. Bonds2

About 2-(3-amino-2-methylpropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-(3-amino-2-methylpropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82856716) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(3-amino-2-methylpropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82856716
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-(3-amino-2-methylpropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCC(CN)C(=O)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C11H19N3O2/c1-8(6-12)11(16)13-4-5-14-9(7-13)2-3-10(14)15/h8-9H,2-7,12H2,1H3
InChIKeyBWBONGOBBGSCSV-UHFFFAOYSA-N
XLogP-0.59
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylpropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(3-amino-2-methylpropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82856716) is 2-(3-amino-2-methylpropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(3-amino-2-methylpropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(3-amino-2-methylpropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is CC(CN)C(=O)N1CCN2C(=O)CCC2C1.
What is the InChIKey of 2-(3-amino-2-methylpropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is BWBONGOBBGSCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(6-12)11(16)13-4-5-14-9(7-13)2-3-10(14)15/h8-9H,2-7,12H2,1H3.
What are the key properties of 2-(3-amino-2-methylpropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-(3-amino-2-methylpropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 225.29 g/mol, XLogP of -0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylpropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82856716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).