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

C8H14N2O — CID 135392990

IUPAC(8aS)-8a-methyl-1,2,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-one
SMILESC[C@@]12CCCN1CC(=O)NC2
InChIInChI=1S/C8H14N2O/c1-8-3-2-4-10(8)5-7(11)9-6-8/h2-6H2,1H3,(H,9,11)/t8-/m0/s1
InChIKeyYBHXRNAYZWLUQW-QMMMGPOBSA-N
MW154.21 g/mol
LogP-0.03
Rot. Bonds

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

(8aS)-8a-methyl-1,2,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-one (PubChem CID 135392990) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (8aS)-8a-methyl-1,2,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aS)-8a-methyl-1,2,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-one
PubChem CID135392990
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(8aS)-8a-methyl-1,2,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-one
SMILESC[C@@]12CCCN1CC(=O)NC2
InChIInChI=1S/C8H14N2O/c1-8-3-2-4-10(8)5-7(11)9-6-8/h2-6H2,1H3,(H,9,11)/t8-/m0/s1
InChIKeyYBHXRNAYZWLUQW-QMMMGPOBSA-N
XLogP-0.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8aS)-8a-methyl-1,2,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-one?
The IUPAC name of (8aS)-8a-methyl-1,2,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-one (CID 135392990) is (8aS)-8a-methyl-1,2,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-one.
What is the SMILES notation for (8aS)-8a-methyl-1,2,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-one?
The canonical SMILES for (8aS)-8a-methyl-1,2,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-one is C[C@@]12CCCN1CC(=O)NC2.
What is the InChIKey of (8aS)-8a-methyl-1,2,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-one?
The InChIKey is YBHXRNAYZWLUQW-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14N2O/c1-8-3-2-4-10(8)5-7(11)9-6-8/h2-6H2,1H3,(H,9,11)/t8-/m0/s1.
What are the key properties of (8aS)-8a-methyl-1,2,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-one?
(8aS)-8a-methyl-1,2,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-one has a molecular weight of 154.21 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-8a-methyl-1,2,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-one is sourced from PubChem (CID 135392990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).