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

C12H22N2O — CID 121309618

IUPAC2-(2,2-dimethylpropyl)-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one
SMILESCC(C)(C)CN1CCN2CC(=O)CC2C1
InChIInChI=1S/C12H22N2O/c1-12(2,3)9-13-4-5-14-8-11(15)6-10(14)7-13/h10H,4-9H2,1-3H3
InChIKeyGNJYSTPBJKXAHQ-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.99
Rot. Bonds1

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

2-(2,2-dimethylpropyl)-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one (PubChem CID 121309618) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one
PubChem CID121309618
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(2,2-dimethylpropyl)-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one
SMILESCC(C)(C)CN1CCN2CC(=O)CC2C1
InChIInChI=1S/C12H22N2O/c1-12(2,3)9-13-4-5-14-8-11(15)6-10(14)7-13/h10H,4-9H2,1-3H3
InChIKeyGNJYSTPBJKXAHQ-UHFFFAOYSA-N
XLogP0.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one?
The IUPAC name of 2-(2,2-dimethylpropyl)-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one (CID 121309618) is 2-(2,2-dimethylpropyl)-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one?
The canonical SMILES for 2-(2,2-dimethylpropyl)-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one is CC(C)(C)CN1CCN2CC(=O)CC2C1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one?
The InChIKey is GNJYSTPBJKXAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2,3)9-13-4-5-14-8-11(15)6-10(14)7-13/h10H,4-9H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one?
2-(2,2-dimethylpropyl)-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one has a molecular weight of 210.32 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one is sourced from PubChem (CID 121309618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).