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

C8H14N2O — CID 59215769

IUPAC(8aS)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
SMILESCN1CCN2CCC[C@H]2C1=O
InChIInChI=1S/C8H14N2O/c1-9-5-6-10-4-2-3-7(10)8(9)11/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeySOTGJIQEPYQCPN-ZETCQYMHSA-N
MW154.21 g/mol
LogP-0.08
Rot. Bonds

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

(8aS)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one (PubChem CID 59215769) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (8aS)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name(8aS)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
PubChem CID59215769
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(8aS)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
SMILESCN1CCN2CCC[C@H]2C1=O
InChIInChI=1S/C8H14N2O/c1-9-5-6-10-4-2-3-7(10)8(9)11/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeySOTGJIQEPYQCPN-ZETCQYMHSA-N
XLogP-0.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyclo(prolylglycyl)
CID 126154
3-Methyl-octahydropyrrolo(1,2-a)piperazine-1,4-dione
CID 6428987
Cyclo(glycylprolyl)
CID 193540
Cyclo(Pro-Pro)
CID 529063
Octahydropyrrolo(1,2-a)piperazin-1-one
CID 658991
Cyclo(prolylprolyl)
CID 736756
(R)-Hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 854022
(3S,8As)-3-Methylhexahydropyrrolo(1,2-A)Pyrazine-1,4-Dione
CID 13879951
(3S,8aR)-3-methyl-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione
CID 5325711
Cyclo(-D-Ala-L-Pro)
CID 11902953
(3R,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
CID 6542165
(3R,9R)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
CID 6932481

Frequently Asked Questions

What is the IUPAC name of (8aS)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of (8aS)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one (CID 59215769) is (8aS)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for (8aS)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for (8aS)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one is CN1CCN2CCC[C@H]2C1=O.
What is the InChIKey of (8aS)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is SOTGJIQEPYQCPN-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N2O/c1-9-5-6-10-4-2-3-7(10)8(9)11/h7H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (8aS)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one?
(8aS)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 154.21 g/mol, XLogP of -0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 59215769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).