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

C8H16N2O — CID 53397580

IUPAC3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol
SMILESCC1CN2CC(O)CC2CN1
InChIInChI=1S/C8H16N2O/c1-6-4-10-5-8(11)2-7(10)3-9-6/h6-9,11H,2-5H2,1H3
InChIKeyXQEKTFPFYZIXMT-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.59
Rot. Bonds

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

3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol (PubChem CID 53397580) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol.

Molecular Properties

Compound Name3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol
PubChem CID53397580
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol
SMILESCC1CN2CC(O)CC2CN1
InChIInChI=1S/C8H16N2O/c1-6-4-10-5-8(11)2-7(10)3-9-6/h6-9,11H,2-5H2,1H3
InChIKeyXQEKTFPFYZIXMT-UHFFFAOYSA-N
XLogP-0.59
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(7R,8aS)-octahydropyrrolo[1,2-a]piperazin-7-ol
CID 53338751
(7R,8AR)-7-methoxyoctahydropyrrolo[1,2-a]pyrazine
CID 90415838
(7S,8aS)-octahydropyrrolo[1,2-a]piperazin-7-ol
CID 98240506
1-(Piperidin-4-YL)pyrrolidin-3-OL
CID 53408162
trans-4-(1-Piperidinyl)-3-pyrrolidinol dihydrochloride
CID 75530879
(7S,8AR)-7-Methoxyoctahydropyrrolo[1,2-A]pyrazine
CID 145708507
(7S,8aS)-7-methoxy-octahydropyrrolo(1,2-a)piperazine
CID 145708566
(3S,5R)-5-((dimethylamino)methyl)pyrrolidin-3-ol dihydrochloride
CID 165761929
(3R,5S)-5-((dimethylamino)methyl)pyrrolidin-3-ol dihydrochloride
CID 165990367
(3S,5S)-5-[(dimethylamino)methyl]pyrrolidin-3-ol dihydrochloride
CID 165995964
trans-4-(Piperidin-1-yl)pyrrolidin-3-ol
CID 29893158
5-(Aminomethyl)-1-ethylpyrrolidin-3-ol
CID 58858732

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol?
The IUPAC name of 3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol (CID 53397580) is 3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol.
What is the SMILES notation for 3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol?
The canonical SMILES for 3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol is CC1CN2CC(O)CC2CN1.
What is the InChIKey of 3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol?
The InChIKey is XQEKTFPFYZIXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6-4-10-5-8(11)2-7(10)3-9-6/h6-9,11H,2-5H2,1H3.
What are the key properties of 3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol?
3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol has a molecular weight of 156.23 g/mol, XLogP of -0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 3 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]pyrazin-7-ol is sourced from PubChem (CID 53397580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).