(8aS)-3-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

C9H18N2 — CID 166931143

IUPAC(8aS)-3-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESCCC1CN2CCC[C@H]2CN1
InChIInChI=1S/C9H18N2/c1-2-8-7-11-5-3-4-9(11)6-10-8/h8-10H,2-7H2,1H3/t8?,9-/m0/s1
InChIKeyVJSUDAXXXXTREH-GKAPJAKFSA-N
MW154.26 g/mol
LogP0.83
Rot. Bonds1

About (8aS)-3-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

(8aS)-3-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (PubChem CID 166931143) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (8aS)-3-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(8aS)-3-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
PubChem CID166931143
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(8aS)-3-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESCCC1CN2CCC[C@H]2CN1
InChIInChI=1S/C9H18N2/c1-2-8-7-11-5-3-4-9(11)6-10-8/h8-10H,2-7H2,1H3/t8?,9-/m0/s1
InChIKeyVJSUDAXXXXTREH-GKAPJAKFSA-N
XLogP0.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (8aS)-3-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine with MolForge

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Related Compounds

3-(chloromethyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 130774969
1-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)propan-2-one
CID 82407616
3-ethyl-1-(4-methylcycloheptyl)-1,4-diazepane
CID 114102096
(3S)-3-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 66523127
1-(5-ethyl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 64946703
2-ethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 89311495
3-ethyl-1-(1-methylazetidin-3-yl)piperazine
CID 131042809
(3S,8aR)-3-(2,3-dihydroindol-1-ylmethyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 66972661
1-cyclohexyl-2-cyclopropyl-5-ethylpiperazine
CID 82936170
(8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid
CID 66927099
methyl (3R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylate
CID 10583633
1-cyclopropyl-3-ethylpiperidine
CID 76560892

Frequently Asked Questions

What is the IUPAC name of (8aS)-3-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of (8aS)-3-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (CID 166931143) is (8aS)-3-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (8aS)-3-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for (8aS)-3-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is CCC1CN2CCC[C@H]2CN1.
What is the InChIKey of (8aS)-3-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The InChIKey is VJSUDAXXXXTREH-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-8-7-11-5-3-4-9(11)6-10-8/h8-10H,2-7H2,1H3/t8?,9-/m0/s1.
What are the key properties of (8aS)-3-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
(8aS)-3-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine has a molecular weight of 154.26 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-3-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 166931143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).