1-(2-fluorophenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid

C13H13FN2O3 — CID 82019186

IUPAC1-(2-fluorophenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid
SMILESO=C1CCC2(C(=O)O)N1CCN2c1ccccc1F
InChIInChI=1S/C13H13FN2O3/c14-9-3-1-2-4-10(9)15-7-8-16-11(17)5-6-13(15,16)12(18)19/h1-4H,5-8H2,(H,18,19)
InChIKeyMTOCOZMDXRUWER-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.05
Rot. Bonds2

About 1-(2-fluorophenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid

1-(2-fluorophenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid (PubChem CID 82019186) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid
PubChem CID82019186
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name1-(2-fluorophenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid
SMILESO=C1CCC2(C(=O)O)N1CCN2c1ccccc1F
InChIInChI=1S/C13H13FN2O3/c14-9-3-1-2-4-10(9)15-7-8-16-11(17)5-6-13(15,16)12(18)19/h1-4H,5-8H2,(H,18,19)
InChIKeyMTOCOZMDXRUWER-UHFFFAOYSA-N
XLogP1.05
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2-fluorophenyl)-2,4,5,6-tetrahydropyrrolo[1,2-b]pyrazole-3-carboxylic acid
CID 150370525
2-[3-(2-fluorophenyl)-2,4-dioxoimidazolidin-1-yl]acetic acid
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5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110414262
1-(2-fluorophenyl)pyrrolidin-3-one
CID 23052790
3-(bromomethyl)-2-(2-fluorophenyl)-1-oxoisoquinoline-4-carboxylic acid
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2-[1-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-yl]acetic acid
CID 117018480
1-(2-fluorophenyl)-2-methyl-5-oxopyrrolidine-3-carboxylic acid
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CID 117002649
4-(2-fluorophenyl)-6-(hydroxymethyl)-6-methylmorpholin-3-one
CID 115067563

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid?
The IUPAC name of 1-(2-fluorophenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid (CID 82019186) is 1-(2-fluorophenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid.
What is the SMILES notation for 1-(2-fluorophenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid?
The canonical SMILES for 1-(2-fluorophenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid is O=C1CCC2(C(=O)O)N1CCN2c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid?
The InChIKey is MTOCOZMDXRUWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c14-9-3-1-2-4-10(9)15-7-8-16-11(17)5-6-13(15,16)12(18)19/h1-4H,5-8H2,(H,18,19).
What are the key properties of 1-(2-fluorophenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid?
1-(2-fluorophenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid has a molecular weight of 264.26 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid is sourced from PubChem (CID 82019186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).