2-[2-amino-1-(5-methylfuran-2-yl)butyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C16H25N3O2 — CID 82855504

IUPAC2-[2-amino-1-(5-methylfuran-2-yl)butyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCCC(N)C(c1ccc(C)o1)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C16H25N3O2/c1-3-13(17)16(14-6-4-11(2)21-14)18-8-9-19-12(10-18)5-7-15(19)20/h4,6,12-13,16H,3,5,7-10,17H2,1-2H3
InChIKeyOAPBUVMELLWSNI-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.67
Rot. Bonds4

About 2-[2-amino-1-(5-methylfuran-2-yl)butyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-[2-amino-1-(5-methylfuran-2-yl)butyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82855504) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[2-amino-1-(5-methylfuran-2-yl)butyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-[2-amino-1-(5-methylfuran-2-yl)butyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82855504
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[2-amino-1-(5-methylfuran-2-yl)butyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCCC(N)C(c1ccc(C)o1)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C16H25N3O2/c1-3-13(17)16(14-6-4-11(2)21-14)18-8-9-19-12(10-18)5-7-15(19)20/h4,6,12-13,16H,3,5,7-10,17H2,1-2H3
InChIKeyOAPBUVMELLWSNI-UHFFFAOYSA-N
XLogP1.67
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-1-(5-methylfuran-2-yl)butyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-[2-amino-1-(5-methylfuran-2-yl)butyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82855504) is 2-[2-amino-1-(5-methylfuran-2-yl)butyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-[2-amino-1-(5-methylfuran-2-yl)butyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-[2-amino-1-(5-methylfuran-2-yl)butyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is CCC(N)C(c1ccc(C)o1)N1CCN2C(=O)CCC2C1.
What is the InChIKey of 2-[2-amino-1-(5-methylfuran-2-yl)butyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is OAPBUVMELLWSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-13(17)16(14-6-4-11(2)21-14)18-8-9-19-12(10-18)5-7-15(19)20/h4,6,12-13,16H,3,5,7-10,17H2,1-2H3.
What are the key properties of 2-[2-amino-1-(5-methylfuran-2-yl)butyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-[2-amino-1-(5-methylfuran-2-yl)butyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 291.39 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-1-(5-methylfuran-2-yl)butyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82855504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).