2-[2-(tert-butylamino)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C13H25N3O — CID 82863901

IUPAC2-[2-(tert-butylamino)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCC(C)(C)NCCN1CCN2C(=O)CCC2C1
InChIInChI=1S/C13H25N3O/c1-13(2,3)14-6-7-15-8-9-16-11(10-15)4-5-12(16)17/h11,14H,4-10H2,1-3H3
InChIKeyDRUYNAGZHUUIEW-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.68
Rot. Bonds3

About 2-[2-(tert-butylamino)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-[2-(tert-butylamino)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82863901) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[2-(tert-butylamino)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-[2-(tert-butylamino)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82863901
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[2-(tert-butylamino)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCC(C)(C)NCCN1CCN2C(=O)CCC2C1
InChIInChI=1S/C13H25N3O/c1-13(2,3)14-6-7-15-8-9-16-11(10-15)4-5-12(16)17/h11,14H,4-10H2,1-3H3
InChIKeyDRUYNAGZHUUIEW-UHFFFAOYSA-N
XLogP0.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(tert-butylamino)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one with MolForge

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Related Compounds

Cyclo(prolylglycyl)
CID 126154
Gancidin W
CID 7074739
3-Isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 102892
3-Methyl-octahydropyrrolo(1,2-a)piperazine-1,4-dione
CID 6428987
Cyclo(glycylprolyl)
CID 193540
cyclo(L-Pro-L-Val)
CID 6992261
Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-(1-methylethyl)-
CID 98951
(3R,8aS)-Hexahydro-3-(2-methylpropyl)pyrrolo(1,2-a)pyrazine-1,4-dione
CID 927565
3-sec-Butyl-pyrrolopiperazine-1,4-dione
CID 6428988
Octahydropyrrolo(1,2-a)piperazin-1-one
CID 658991
Cyclo(Ile-Pro)
CID 13654640
(2S)-2-[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-amino-2-oxoethyl)-4-methylpentanamide
CID 10663749

Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylamino)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-[2-(tert-butylamino)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82863901) is 2-[2-(tert-butylamino)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-[2-(tert-butylamino)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-[2-(tert-butylamino)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is CC(C)(C)NCCN1CCN2C(=O)CCC2C1.
What is the InChIKey of 2-[2-(tert-butylamino)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is DRUYNAGZHUUIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-13(2,3)14-6-7-15-8-9-16-11(10-15)4-5-12(16)17/h11,14H,4-10H2,1-3H3.
What are the key properties of 2-[2-(tert-butylamino)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-[2-(tert-butylamino)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 239.36 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylamino)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82863901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).