7,7-difluoro-1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C7H10F2N2O — CID 59215882

IUPAC7,7-difluoro-1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C1N2CCNCC2CC1(F)F
InChIInChI=1S/C7H10F2N2O/c8-7(9)3-5-4-10-1-2-11(5)6(7)12/h5,10H,1-4H2
InChIKeyQPLVLFGFWZWRGG-UHFFFAOYSA-N
MW176.17 g/mol
LogP-0.17
Rot. Bonds

About 7,7-difluoro-1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

7,7-difluoro-1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 59215882) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is 7,7-difluoro-1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name7,7-difluoro-1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID59215882
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name7,7-difluoro-1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C1N2CCNCC2CC1(F)F
InChIInChI=1S/C7H10F2N2O/c8-7(9)3-5-4-10-1-2-11(5)6(7)12/h5,10H,1-4H2
InChIKeyQPLVLFGFWZWRGG-UHFFFAOYSA-N
XLogP-0.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 7,7-difluoro-1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 59215882) is 7,7-difluoro-1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 7,7-difluoro-1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 7,7-difluoro-1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is O=C1N2CCNCC2CC1(F)F.
What is the InChIKey of 7,7-difluoro-1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is QPLVLFGFWZWRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O/c8-7(9)3-5-4-10-1-2-11(5)6(7)12/h5,10H,1-4H2.
What are the key properties of 7,7-difluoro-1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
7,7-difluoro-1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 176.17 g/mol, XLogP of -0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-1,2,3,4,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 59215882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).