2-fluoro-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one

C8H13FN2O — CID 142444575

IUPAC2-fluoro-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one
SMILESO=C1CN2CCCCC2CN1F
InChIInChI=1S/C8H13FN2O/c9-11-5-7-3-1-2-4-10(7)6-8(11)12/h7H,1-6H2
InChIKeyPLRZWRJGSNVQHU-UHFFFAOYSA-N
MW172.20 g/mol
LogP0.57
Rot. Bonds

About 2-fluoro-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one

2-fluoro-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one (PubChem CID 142444575) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is 2-fluoro-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one.

Molecular Properties

Compound Name2-fluoro-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one
PubChem CID142444575
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name2-fluoro-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one
SMILESO=C1CN2CCCCC2CN1F
InChIInChI=1S/C8H13FN2O/c9-11-5-7-3-1-2-4-10(7)6-8(11)12/h7H,1-6H2
InChIKeyPLRZWRJGSNVQHU-UHFFFAOYSA-N
XLogP0.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one
CID 130774971
2-ethyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one
CID 130927080
1-azabicyclo[9.1.0]dodecane
CID 87228787
1-methyl-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one
CID 58645319
1-(3-methylidene-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)ethanone
CID 131092196
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-one
CID 79934846
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-one
CID 79934767
4-cyclopentyl-1,4-diazepan-2-one
CID 117005235
2-cyclobutyl-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926329
1-cyclodecylpyrrolidin-3-one
CID 138676614
1-cyclooctylpiperidine
CID 89210756
1-cyclohexylazocane
CID 23151203

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one?
The IUPAC name of 2-fluoro-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one (CID 142444575) is 2-fluoro-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one.
What is the SMILES notation for 2-fluoro-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one?
The canonical SMILES for 2-fluoro-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one is O=C1CN2CCCCC2CN1F.
What is the InChIKey of 2-fluoro-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one?
The InChIKey is PLRZWRJGSNVQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c9-11-5-7-3-1-2-4-10(7)6-8(11)12/h7H,1-6H2.
What are the key properties of 2-fluoro-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one?
2-fluoro-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one has a molecular weight of 172.20 g/mol, XLogP of 0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-3-one is sourced from PubChem (CID 142444575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).