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

C7H12N2O — CID 658991

IUPAC3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESO=C1NCCN2CCCC12
InChIInChI=1S/C7H12N2O/c10-7-6-2-1-4-9(6)5-3-8-7/h6H,1-5H2,(H,8,10)
InChIKeyJBIHMFNMKHDTEE-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.42
Rot. Bonds

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

3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 658991) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID658991
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESO=C1NCCN2CCCC12
InChIInChI=1S/C7H12N2O/c10-7-6-2-1-4-9(6)5-3-8-7/h6H,1-5H2,(H,8,10)
InChIKeyJBIHMFNMKHDTEE-UHFFFAOYSA-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 3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 658991) is 3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one is O=C1NCCN2CCCC12.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is JBIHMFNMKHDTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c10-7-6-2-1-4-9(6)5-3-8-7/h6H,1-5H2,(H,8,10).
What are the key properties of 3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-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 3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 658991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).