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

C14H25N3O2 — CID 82856195

IUPAC2-(3-amino-4,4-dimethylpentanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCC(C)(C)C(N)CC(=O)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C14H25N3O2/c1-14(2,3)11(15)8-13(19)16-6-7-17-10(9-16)4-5-12(17)18/h10-11H,4-9,15H2,1-3H3
InChIKeyZSNSURAUSNIYBY-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.58
Rot. Bonds2

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

2-(3-amino-4,4-dimethylpentanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82856195) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(3-amino-4,4-dimethylpentanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(3-amino-4,4-dimethylpentanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82856195
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-(3-amino-4,4-dimethylpentanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCC(C)(C)C(N)CC(=O)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C14H25N3O2/c1-14(2,3)11(15)8-13(19)16-6-7-17-10(9-16)4-5-12(17)18/h10-11H,4-9,15H2,1-3H3
InChIKeyZSNSURAUSNIYBY-UHFFFAOYSA-N
XLogP0.58
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4,4-dimethylpentanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(3-amino-4,4-dimethylpentanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82856195) is 2-(3-amino-4,4-dimethylpentanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(3-amino-4,4-dimethylpentanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(3-amino-4,4-dimethylpentanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is CC(C)(C)C(N)CC(=O)N1CCN2C(=O)CCC2C1.
What is the InChIKey of 2-(3-amino-4,4-dimethylpentanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is ZSNSURAUSNIYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-14(2,3)11(15)8-13(19)16-6-7-17-10(9-16)4-5-12(17)18/h10-11H,4-9,15H2,1-3H3.
What are the key properties of 2-(3-amino-4,4-dimethylpentanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-(3-amino-4,4-dimethylpentanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 267.37 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4,4-dimethylpentanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82856195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).