(3R,7R,8aR)-3-(2-hydroxyethyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol

C9H18N2O2 — CID 95735324

IUPAC(3R,7R,8aR)-3-(2-hydroxyethyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol
SMILESOCC[C@@H]1CN2C[C@H](O)C[C@@H]2CN1
InChIInChI=1S/C9H18N2O2/c12-2-1-7-5-11-6-9(13)3-8(11)4-10-7/h7-10,12-13H,1-6H2/t7-,8-,9-/m1/s1
InChIKeyHQJWSFQOOSYRRG-IWSPIJDZSA-N
MW186.25 g/mol
LogP-1.22
Rot. Bonds2

About (3R,7R,8aR)-3-(2-hydroxyethyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol

(3R,7R,8aR)-3-(2-hydroxyethyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol (PubChem CID 95735324) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (3R,7R,8aR)-3-(2-hydroxyethyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol.

Molecular Properties

Compound Name(3R,7R,8aR)-3-(2-hydroxyethyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol
PubChem CID95735324
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(3R,7R,8aR)-3-(2-hydroxyethyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol
SMILESOCC[C@@H]1CN2C[C@H](O)C[C@@H]2CN1
InChIInChI=1S/C9H18N2O2/c12-2-1-7-5-11-6-9(13)3-8(11)4-10-7/h7-10,12-13H,1-6H2/t7-,8-,9-/m1/s1
InChIKeyHQJWSFQOOSYRRG-IWSPIJDZSA-N
XLogP-1.22
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,7R,8aS)-3-benzyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol
CID 92759328
2,3,4,5,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a][1,4]diazepine-3,8-diol
CID 123860394
(3S,7R,8aS)-3-[(1S)-1-hydroxyethyl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol
CID 54775558
1-azabicyclo[3.1.0]hexan-3-ol
CID 178124587
(8R,9aS)-2,3,4,5,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a][1,4]diazepin-8-ol
CID 131022422
[(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]methanol
CID 59215758
(3S,5R)-1-(azetidin-3-yl)-5-methylpiperidin-3-ol
CID 130802727
2-[(2R,4S)-4-methoxypyrrolidin-2-yl]ethanol
CID 155821329
[4-[(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]-2-methylbutan-2-yl]-hydroxy-dimethylsilane
CID 70318951
[(7R,9aS)-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]thiazin-7-yl]methanol
CID 130921167
2-[(3R,6R)-6-methylmorpholin-3-yl]ethanol
CID 124552326
2-[(3R,6S)-6-methylmorpholin-3-yl]ethanol
CID 124552327

Frequently Asked Questions

What is the IUPAC name of (3R,7R,8aR)-3-(2-hydroxyethyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol?
The IUPAC name of (3R,7R,8aR)-3-(2-hydroxyethyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol (CID 95735324) is (3R,7R,8aR)-3-(2-hydroxyethyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol.
What is the SMILES notation for (3R,7R,8aR)-3-(2-hydroxyethyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol?
The canonical SMILES for (3R,7R,8aR)-3-(2-hydroxyethyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol is OCC[C@@H]1CN2C[C@H](O)C[C@@H]2CN1.
What is the InChIKey of (3R,7R,8aR)-3-(2-hydroxyethyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol?
The InChIKey is HQJWSFQOOSYRRG-IWSPIJDZSA-N. The full InChI is InChI=1S/C9H18N2O2/c12-2-1-7-5-11-6-9(13)3-8(11)4-10-7/h7-10,12-13H,1-6H2/t7-,8-,9-/m1/s1.
What are the key properties of (3R,7R,8aR)-3-(2-hydroxyethyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol?
(3R,7R,8aR)-3-(2-hydroxyethyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol has a molecular weight of 186.25 g/mol, XLogP of -1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7R,8aR)-3-(2-hydroxyethyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol is sourced from PubChem (CID 95735324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).