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

C13H21N3O2 — CID 82855600

IUPAC2-(3-aminocyclopentanecarbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESNC1CCC(C(=O)N2CCN3C(=O)CCC3C2)C1
InChIInChI=1S/C13H21N3O2/c14-10-2-1-9(7-10)13(18)15-5-6-16-11(8-15)3-4-12(16)17/h9-11H,1-8,14H2
InChIKeyICZNGDFBHZJHSS-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.05
Rot. Bonds1

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

2-(3-aminocyclopentanecarbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82855600) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(3-aminocyclopentanecarbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(3-aminocyclopentanecarbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82855600
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(3-aminocyclopentanecarbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESNC1CCC(C(=O)N2CCN3C(=O)CCC3C2)C1
InChIInChI=1S/C13H21N3O2/c14-10-2-1-9(7-10)13(18)15-5-6-16-11(8-15)3-4-12(16)17/h9-11H,1-8,14H2
InChIKeyICZNGDFBHZJHSS-UHFFFAOYSA-N
XLogP-0.05
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(bicyclo[3.1.0]hexane-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863196
2-[3-(2-aminoethyl)cyclohexanecarbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82858606
2-(6-oxopiperidine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863483
2-(piperidine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862840
2-[3-(4-aminocyclohexyl)propanoyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82858604
2-(4-aminooxolane-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82855461
2-acetyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 58166183
2-[3-(3-aminocyclohexyl)propanoyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82858605
(8aS)-2-[(1R,3R)-3-aminocyclopentyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 99962875
(3-aminocyclopentyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 66032470
(3-aminocyclopentyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119858264
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclopentanecarbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(3-aminocyclopentanecarbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82855600) is 2-(3-aminocyclopentanecarbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(3-aminocyclopentanecarbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(3-aminocyclopentanecarbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is NC1CCC(C(=O)N2CCN3C(=O)CCC3C2)C1.
What is the InChIKey of 2-(3-aminocyclopentanecarbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is ICZNGDFBHZJHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c14-10-2-1-9(7-10)13(18)15-5-6-16-11(8-15)3-4-12(16)17/h9-11H,1-8,14H2.
What are the key properties of 2-(3-aminocyclopentanecarbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-(3-aminocyclopentanecarbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 251.33 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclopentanecarbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82855600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).