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

C8H14N2O — CID 59215766

IUPAC(8aR)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
SMILESCN1CCN2CCC[C@@H]2C1=O
InChIInChI=1S/C8H14N2O/c1-9-5-6-10-4-2-3-7(10)8(9)11/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeySOTGJIQEPYQCPN-SSDOTTSWSA-N
MW154.21 g/mol
LogP-0.08
Rot. Bonds

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

(8aR)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one (PubChem CID 59215766) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (8aR)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name(8aR)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
PubChem CID59215766
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(8aR)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
SMILESCN1CCN2CCC[C@@H]2C1=O
InChIInChI=1S/C8H14N2O/c1-9-5-6-10-4-2-3-7(10)8(9)11/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeySOTGJIQEPYQCPN-SSDOTTSWSA-N
XLogP-0.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8aR)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of (8aR)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one (CID 59215766) is (8aR)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for (8aR)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for (8aR)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one is CN1CCN2CCC[C@@H]2C1=O.
What is the InChIKey of (8aR)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is SOTGJIQEPYQCPN-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14N2O/c1-9-5-6-10-4-2-3-7(10)8(9)11/h7H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of (8aR)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one?
(8aR)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 154.21 g/mol, XLogP of -0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 59215766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).