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

C8H16N2O — CID 66658603

IUPAC[(1R,8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-1-yl]methanol
SMILESOC[C@@H]1NCCN2CCC[C@H]12
InChIInChI=1S/C8H16N2O/c11-6-7-8-2-1-4-10(8)5-3-9-7/h7-9,11H,1-6H2/t7-,8+/m0/s1
InChIKeyCPHMNMDWUXYMRR-JGVFFNPUSA-N
MW156.23 g/mol
LogP-0.59
Rot. Bonds1

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

[(1R,8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-1-yl]methanol (PubChem CID 66658603) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is [(1R,8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-1-yl]methanol.

Molecular Properties

Compound Name[(1R,8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-1-yl]methanol
PubChem CID66658603
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name[(1R,8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-1-yl]methanol
SMILESOC[C@@H]1NCCN2CCC[C@H]12
InChIInChI=1S/C8H16N2O/c11-6-7-8-2-1-4-10(8)5-3-9-7/h7-9,11H,1-6H2/t7-,8+/m0/s1
InChIKeyCPHMNMDWUXYMRR-JGVFFNPUSA-N
XLogP-0.59
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of [(1R,8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-1-yl]methanol?
The IUPAC name of [(1R,8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-1-yl]methanol (CID 66658603) is [(1R,8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-1-yl]methanol.
What is the SMILES notation for [(1R,8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-1-yl]methanol?
The canonical SMILES for [(1R,8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-1-yl]methanol is OC[C@@H]1NCCN2CCC[C@H]12.
What is the InChIKey of [(1R,8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-1-yl]methanol?
The InChIKey is CPHMNMDWUXYMRR-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H16N2O/c11-6-7-8-2-1-4-10(8)5-3-9-7/h7-9,11H,1-6H2/t7-,8+/m0/s1.
What are the key properties of [(1R,8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-1-yl]methanol?
[(1R,8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-1-yl]methanol has a molecular weight of 156.23 g/mol, XLogP of -0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-1-yl]methanol is sourced from PubChem (CID 66658603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).