(8aS)-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one

C7H12N2O — CID 18638938

IUPAC(8aS)-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one
SMILESO=C1CNC[C@@H]2CCCN12
InChIInChI=1S/C7H12N2O/c10-7-5-8-4-6-2-1-3-9(6)7/h6,8H,1-5H2/t6-/m0/s1
InChIKeyHAAZJWVQKLGNDT-LURJTMIESA-N
MW140.19 g/mol
LogP-0.42
Rot. Bonds

About (8aS)-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one

(8aS)-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one (PubChem CID 18638938) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (8aS)-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one.

Molecular Properties

Compound Name(8aS)-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one
PubChem CID18638938
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(8aS)-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one
SMILESO=C1CNC[C@@H]2CCCN12
InChIInChI=1S/C7H12N2O/c10-7-5-8-4-6-2-1-3-9(6)7/h6,8H,1-5H2/t6-/m0/s1
InChIKeyHAAZJWVQKLGNDT-LURJTMIESA-N
XLogP-0.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8aS)-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one?
The IUPAC name of (8aS)-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one (CID 18638938) is (8aS)-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one.
What is the SMILES notation for (8aS)-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one?
The canonical SMILES for (8aS)-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one is O=C1CNC[C@@H]2CCCN12.
What is the InChIKey of (8aS)-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one?
The InChIKey is HAAZJWVQKLGNDT-LURJTMIESA-N. The full InChI is InChI=1S/C7H12N2O/c10-7-5-8-4-6-2-1-3-9(6)7/h6,8H,1-5H2/t6-/m0/s1.
What are the key properties of (8aS)-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one?
(8aS)-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one has a molecular weight of 140.19 g/mol, XLogP of -0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one is sourced from PubChem (CID 18638938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).