8-chloro-3-ethenyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one

C15H10ClFN2O — CID 90064290

IUPAC8-chloro-3-ethenyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one
SMILESC=Cc1cn2ccc(Cl)c2c(=O)n1-c1cccc(F)c1
InChIInChI=1S/C15H10ClFN2O/c1-2-11-9-18-7-6-13(16)14(18)15(20)19(11)12-5-3-4-10(17)8-12/h2-9H,1H2
InChIKeyMLFXTMFNTPETJI-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.53
Rot. Bonds2

About 8-chloro-3-ethenyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one

8-chloro-3-ethenyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 90064290) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is 8-chloro-3-ethenyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name8-chloro-3-ethenyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one
PubChem CID90064290
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC Name8-chloro-3-ethenyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one
SMILESC=Cc1cn2ccc(Cl)c2c(=O)n1-c1cccc(F)c1
InChIInChI=1S/C15H10ClFN2O/c1-2-11-9-18-7-6-13(16)14(18)15(20)19(11)12-5-3-4-10(17)8-12/h2-9H,1H2
InChIKeyMLFXTMFNTPETJI-UHFFFAOYSA-N
XLogP3.53
TPSA26.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-Chlorophenyl)methyl]pyrrole-2-carboxamide
CID 3239748
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide
CID 24817966
N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 25189693
1-(4-chlorophenyl)-1H-pyrrole-2-carbaldehyde
CID 737212
1-(2-fluorophenyl)-1H-pyrrole-2-carbaldehyde
CID 1489915
1-(4-fluorophenyl)-1H-pyrrole-2-carbaldehyde
CID 3161845
1-(3-Chlorobenzyl)-1H-pyrrole-2-carboxamide
CID 5071699
N-[(4-fluorophenyl)methyl]-N,1-dimethyl-1H-pyrrole-2-carboxamide
CID 11064689
1-Methyl-1H-pyrrole-2-carboxylic acid (3-fluoro-benzyl)-methyl-amide
CID 11746926
N-[(2-fluorophenyl)methyl]-N,1-dimethyl-1H-pyrrole-2-carboxamide
CID 11806940
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-methylpyrrole-2-carboxamide
CID 25618948
1-methyl-N-phenyl-1H-pyrrole-2-carboxamide
CID 14691769

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-ethenyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 8-chloro-3-ethenyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one (CID 90064290) is 8-chloro-3-ethenyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 8-chloro-3-ethenyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 8-chloro-3-ethenyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one is C=Cc1cn2ccc(Cl)c2c(=O)n1-c1cccc(F)c1.
What is the InChIKey of 8-chloro-3-ethenyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is MLFXTMFNTPETJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O/c1-2-11-9-18-7-6-13(16)14(18)15(20)19(11)12-5-3-4-10(17)8-12/h2-9H,1H2.
What are the key properties of 8-chloro-3-ethenyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one?
8-chloro-3-ethenyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 288.71 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-ethenyl-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 90064290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).