ethane;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone;7-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;bis(7-ethyl-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);7-ethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;methyl 7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate

C81H160N14O4 — CID 158131602

About ethane;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone;7-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;bis(7-ethyl-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);7-ethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;methyl 7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate

ethane;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone;7-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;bis(7-ethyl-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);7-ethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;methyl 7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate (PubChem CID 158131602) has the molecular formula C81H160N14O4 and a molecular weight of 1394.26 g/mol. Its IUPAC name is ethane;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone;7-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;bis(7-ethyl-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);7-ethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;methyl 7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate.

Molecular Properties

• Compound Name: ethane;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone;7-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;bis(7-ethyl-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);7-ethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;methyl 7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
• PubChem CID: 158131602
• Molecular Formula: C81H160N14O4
• Molecular Weight: 1394.26 g/mol
• Exact Mass: 1393.27
• IUPAC Name: ethane;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone;7-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;bis(7-ethyl-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);7-ethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;methyl 7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
• SMILES: CC.CC.CCC1CC2CN(C(=O)C(C)(C)C)CCN2C1.CCC1CC2CN(C(=O)OC)CCN2C1.CCC1CC2CN(C(C)=O)CCN2C1.CCC1CC2CN(C(C)C)CCN2C1.CCC1CC2CN(C)CCN2C1.CCC1CC2CN(C)CCN2C1.CCC1CC2CNCCN2C1
• InChI: InChI=1S/C14H26N2O.C12H24N2.C11H20N2O2.C11H20N2O.2C10H20N2.C9H18N2.2C2H6/c1-5-11-8-12-10-16(7-6-15(12)9-11)13(17)14(2,3)4;1-4-11-7-12-9-13(10(2)3)5-6-14(12)8-11;1-3-9-6-10-8-13(11(14)15-2)5-4-12(10)7-9;1-3-10-6-11-8-12(9(2)14)4-5-13(11)7-10;2*1-3-9-6-10-8-11(2)4-5-12(10)7-9;1-2-8-5-9-6-10-3-4-11(9)7-8;2*1-2/h11-12H,5-10H2,1-4H3;10-12H,4-9H2,1-3H3;9-10H,3-8H2,1-2H3;10-11H,3-8H2,1-2H3;2*9-10H,3-8H2,1-2H3;8-10H,2-7H2,1H3;2*1-2H3
• InChIKey: FSVMJUIRXRBBEW-UHFFFAOYSA-N
• XLogP: 10.71
• TPSA: 114.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1394.26
LogP ≤ 5	10.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of ethane;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone;7-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;bis(7-ethyl-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);7-ethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;methyl 7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate?

The IUPAC name of ethane;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone;7-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;bis(7-ethyl-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);7-ethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;methyl 7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate (CID 158131602) is ethane;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone;7-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;bis(7-ethyl-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);7-ethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;methyl 7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate.

What is the SMILES notation for ethane;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone;7-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;bis(7-ethyl-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);7-ethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;methyl 7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate?

The canonical SMILES for ethane;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone;7-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;bis(7-ethyl-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);7-ethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;methyl 7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate is CC.CC.CCC1CC2CN(C(=O)C(C)(C)C)CCN2C1.CCC1CC2CN(C(=O)OC)CCN2C1.CCC1CC2CN(C(C)=O)CCN2C1.CCC1CC2CN(C(C)C)CCN2C1.CCC1CC2CN(C)CCN2C1.CCC1CC2CN(C)CCN2C1.CCC1CC2CNCCN2C1.

What is the InChIKey of ethane;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone;7-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;bis(7-ethyl-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);7-ethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;methyl 7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate?

The InChIKey is FSVMJUIRXRBBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.C12H24N2.C11H20N2O2.C11H20N2O.2C10H20N2.C9H18N2.2C2H6/c1-5-11-8-12-10-16(7-6-15(12)9-11)13(17)14(2,3)4;1-4-11-7-12-9-13(10(2)3)5-6-14(12)8-11;1-3-9-6-10-8-13(11(14)15-2)5-4-12(10)7-9;1-3-10-6-11-8-12(9(2)14)4-5-13(11)7-10;2*1-3-9-6-10-8-11(2)4-5-12(10)7-9;1-2-8-5-9-6-10-3-4-11(9)7-8;2*1-2/h11-12H,5-10H2,1-4H3;10-12H,4-9H2,1-3H3;9-10H,3-8H2,1-2H3;10-11H,3-8H2,1-2H3;2*9-10H,3-8H2,1-2H3;8-10H,2-7H2,1H3;2*1-2H3.

What are the key properties of ethane;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone;7-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;bis(7-ethyl-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);7-ethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;methyl 7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate?

ethane;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone;7-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;bis(7-ethyl-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);7-ethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;methyl 7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate has a molecular weight of 1394.26 g/mol, XLogP of 10.71, 8 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethylpropan-1-one;1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone;7-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;bis(7-ethyl-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);7-ethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;methyl 7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate is sourced from PubChem (CID 158131602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).