3-fluoro-4-[(5R)-7-oxo-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile

C13H8FN3O — CID 67216150

IUPAC3-fluoro-4-[(5R)-7-oxo-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile
SMILESN#Cc1ccc([C@H]2CC(=O)c3cncn32)c(F)c1
InChIInChI=1S/C13H8FN3O/c14-10-3-8(5-15)1-2-9(10)11-4-13(18)12-6-16-7-17(11)12/h1-3,6-7,11H,4H2/t11-/m1/s1
InChIKeyYUYCQNWKHBPOCS-LLVKDONJSA-N
MW241.22 g/mol
LogP2.07
Rot. Bonds1

About 3-fluoro-4-[(5R)-7-oxo-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile

3-fluoro-4-[(5R)-7-oxo-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile (PubChem CID 67216150) has the molecular formula C13H8FN3O and a molecular weight of 241.22 g/mol. Its IUPAC name is 3-fluoro-4-[(5R)-7-oxo-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[(5R)-7-oxo-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile
PubChem CID67216150
Molecular FormulaC13H8FN3O
Molecular Weight241.22 g/mol
Exact Mass241.07
IUPAC Name3-fluoro-4-[(5R)-7-oxo-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile
SMILESN#Cc1ccc([C@H]2CC(=O)c3cncn32)c(F)c1
InChIInChI=1S/C13H8FN3O/c14-10-3-8(5-15)1-2-9(10)11-4-13(18)12-6-16-7-17(11)12/h1-3,6-7,11H,4H2/t11-/m1/s1
InChIKeyYUYCQNWKHBPOCS-LLVKDONJSA-N
XLogP2.07
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(5R)-7-oxo-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile?
The IUPAC name of 3-fluoro-4-[(5R)-7-oxo-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile (CID 67216150) is 3-fluoro-4-[(5R)-7-oxo-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[(5R)-7-oxo-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile?
The canonical SMILES for 3-fluoro-4-[(5R)-7-oxo-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile is N#Cc1ccc([C@H]2CC(=O)c3cncn32)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(5R)-7-oxo-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile?
The InChIKey is YUYCQNWKHBPOCS-LLVKDONJSA-N. The full InChI is InChI=1S/C13H8FN3O/c14-10-3-8(5-15)1-2-9(10)11-4-13(18)12-6-16-7-17(11)12/h1-3,6-7,11H,4H2/t11-/m1/s1.
What are the key properties of 3-fluoro-4-[(5R)-7-oxo-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile?
3-fluoro-4-[(5R)-7-oxo-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile has a molecular weight of 241.22 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(5R)-7-oxo-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile is sourced from PubChem (CID 67216150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).