3,6,7,8a-tetramethyl-1,2,3,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-4-one

C11H20N2O — CID 70511315

IUPAC3,6,7,8a-tetramethyl-1,2,3,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-4-one
SMILESCC1NCC2(C)CC(C)C(C)N2C1=O
InChIInChI=1S/C11H20N2O/c1-7-5-11(4)6-12-8(2)10(14)13(11)9(7)3/h7-9,12H,5-6H2,1-4H3
InChIKeyRUWUIVYPJFMTEK-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.99
Rot. Bonds

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

3,6,7,8a-tetramethyl-1,2,3,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-4-one (PubChem CID 70511315) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3,6,7,8a-tetramethyl-1,2,3,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-4-one.

Molecular Properties

Compound Name3,6,7,8a-tetramethyl-1,2,3,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-4-one
PubChem CID70511315
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3,6,7,8a-tetramethyl-1,2,3,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-4-one
SMILESCC1NCC2(C)CC(C)C(C)N2C1=O
InChIInChI=1S/C11H20N2O/c1-7-5-11(4)6-12-8(2)10(14)13(11)9(7)3/h7-9,12H,5-6H2,1-4H3
InChIKeyRUWUIVYPJFMTEK-UHFFFAOYSA-N
XLogP0.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6,7,8a-tetramethyl-1,2,3,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-4-one?
The IUPAC name of 3,6,7,8a-tetramethyl-1,2,3,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-4-one (CID 70511315) is 3,6,7,8a-tetramethyl-1,2,3,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-4-one.
What is the SMILES notation for 3,6,7,8a-tetramethyl-1,2,3,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-4-one?
The canonical SMILES for 3,6,7,8a-tetramethyl-1,2,3,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-4-one is CC1NCC2(C)CC(C)C(C)N2C1=O.
What is the InChIKey of 3,6,7,8a-tetramethyl-1,2,3,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-4-one?
The InChIKey is RUWUIVYPJFMTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-7-5-11(4)6-12-8(2)10(14)13(11)9(7)3/h7-9,12H,5-6H2,1-4H3.
What are the key properties of 3,6,7,8a-tetramethyl-1,2,3,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-4-one?
3,6,7,8a-tetramethyl-1,2,3,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-4-one has a molecular weight of 196.29 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7,8a-tetramethyl-1,2,3,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-4-one is sourced from PubChem (CID 70511315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).