3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

C8H16N2 — CID 18958803

IUPAC3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESCC1CN2CCCC2CN1
InChIInChI=1S/C8H16N2/c1-7-6-10-4-2-3-8(10)5-9-7/h7-9H,2-6H2,1H3
InChIKeyZUILOGVUGKBLHW-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.44
Rot. Bonds

About 3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (PubChem CID 18958803) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
PubChem CID18958803
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESCC1CN2CCCC2CN1
InChIInChI=1S/C8H16N2/c1-7-6-10-4-2-3-8(10)5-9-7/h7-9H,2-6H2,1H3
InChIKeyZUILOGVUGKBLHW-UHFFFAOYSA-N
XLogP0.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (CID 18958803) is 3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is CC1CN2CCCC2CN1.
What is the InChIKey of 3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The InChIKey is ZUILOGVUGKBLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-7-6-10-4-2-3-8(10)5-9-7/h7-9H,2-6H2,1H3.
What are the key properties of 3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine has a molecular weight of 140.23 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 18958803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).