(7R,8aS)-7-hydroxy-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one

C8H14N2O2 — CID 45116031

IUPAC(7R,8aS)-7-hydroxy-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
SMILESCN1CCN2C[C@H](O)C[C@H]2C1=O
InChIInChI=1S/C8H14N2O2/c1-9-2-3-10-5-6(11)4-7(10)8(9)12/h6-7,11H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyOHFBKLJOAXZZTD-RQJHMYQMSA-N
MW170.21 g/mol
LogP-1.11
Rot. Bonds

About (7R,8aS)-7-hydroxy-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one

(7R,8aS)-7-hydroxy-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one (PubChem CID 45116031) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (7R,8aS)-7-hydroxy-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name(7R,8aS)-7-hydroxy-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
PubChem CID45116031
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(7R,8aS)-7-hydroxy-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
SMILESCN1CCN2C[C@H](O)C[C@H]2C1=O
InChIInChI=1S/C8H14N2O2/c1-9-2-3-10-5-6(11)4-7(10)8(9)12/h6-7,11H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyOHFBKLJOAXZZTD-RQJHMYQMSA-N
XLogP-1.11
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R,8aS)-7-hydroxy-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of (7R,8aS)-7-hydroxy-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one (CID 45116031) is (7R,8aS)-7-hydroxy-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for (7R,8aS)-7-hydroxy-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for (7R,8aS)-7-hydroxy-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one is CN1CCN2C[C@H](O)C[C@H]2C1=O.
What is the InChIKey of (7R,8aS)-7-hydroxy-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is OHFBKLJOAXZZTD-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-9-2-3-10-5-6(11)4-7(10)8(9)12/h6-7,11H,2-5H2,1H3/t6-,7+/m1/s1.
What are the key properties of (7R,8aS)-7-hydroxy-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one?
(7R,8aS)-7-hydroxy-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 170.21 g/mol, XLogP of -1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8aS)-7-hydroxy-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 45116031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).