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

C13H24N2 — CID 3360111

IUPAC1-cyclohexyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESC1CCC(C2NCCN3CCCC23)CC1
InChIInChI=1S/C13H24N2/c1-2-5-11(6-3-1)13-12-7-4-9-15(12)10-8-14-13/h11-14H,1-10H2
InChIKeyHWGJYRYPRGQACU-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.00
Rot. Bonds1

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

1-cyclohexyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (PubChem CID 3360111) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-cyclohexyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-cyclohexyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
PubChem CID3360111
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-cyclohexyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESC1CCC(C2NCCN3CCCC23)CC1
InChIInChI=1S/C13H24N2/c1-2-5-11(6-3-1)13-12-7-4-9-15(12)10-8-14-13/h11-14H,1-10H2
InChIKeyHWGJYRYPRGQACU-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 1-cyclohexyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (CID 3360111) is 1-cyclohexyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1-cyclohexyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1-cyclohexyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is C1CCC(C2NCCN3CCCC23)CC1.
What is the InChIKey of 1-cyclohexyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The InChIKey is HWGJYRYPRGQACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-2-5-11(6-3-1)13-12-7-4-9-15(12)10-8-14-13/h11-14H,1-10H2.
What are the key properties of 1-cyclohexyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
1-cyclohexyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine has a molecular weight of 208.35 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 3360111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).