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

C8H16N2 — CID 24903578

IUPAC(3S,8aS)-3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESC[C@H]1CN2CCC[C@H]2CN1
InChIInChI=1S/C8H16N2/c1-7-6-10-4-2-3-8(10)5-9-7/h7-9H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyZUILOGVUGKBLHW-YUMQZZPRSA-N
MW140.23 g/mol
LogP0.44
Rot. Bonds

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

(3S,8aS)-3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (PubChem CID 24903578) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (3S,8aS)-3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(3S,8aS)-3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
PubChem CID24903578
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(3S,8aS)-3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESC[C@H]1CN2CCC[C@H]2CN1
InChIInChI=1S/C8H16N2/c1-7-6-10-4-2-3-8(10)5-9-7/h7-9H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyZUILOGVUGKBLHW-YUMQZZPRSA-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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Related Compounds

3-Methyl-octahydropyrrolo(1,2-a)piperazine
CID 18958803
Octahydropyrrolo(1,2-a)pyrazine
CID 558578
3-(Pyrrolidin-1-yl)piperidine
CID 573611
(S)-N-Ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 7141622
1-(Pyrrolidin-3-yl)piperidine
CID 23009617
1-Methyloctahydropyrrolo(1,2-a)pyrazine
CID 44827712
1-[(Pyrrolidin-2-yl)methyl]piperidine
CID 3973870
(6S)-1,4-Diazabicyclo(4.3.0)nonane
CID 781249
(4aS,7aS)-6-methyl-octahydro-1H-pyrrolo(3,4-b)pyridine
CID 1519490
2-Pyrrolidin-1-ylmethyl-piperidine
CID 2760541
N-Ethyl-N-[(2R)-2-pyrrolidinylmethyl]ethanamine
CID 7141624
1-Methyl-4-(pyrrolidin-3-yl)piperazine
CID 14627376

Frequently Asked Questions

What is the IUPAC name of (3S,8aS)-3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of (3S,8aS)-3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (CID 24903578) is (3S,8aS)-3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (3S,8aS)-3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for (3S,8aS)-3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is C[C@H]1CN2CCC[C@H]2CN1.
What is the InChIKey of (3S,8aS)-3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The InChIKey is ZUILOGVUGKBLHW-YUMQZZPRSA-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/t7-,8-/m0/s1.
What are the key properties of (3S,8aS)-3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
(3S,8aS)-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 (3S,8aS)-3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 24903578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).