2-fluoro-6-[[(3S)-5-oxopyrrolidin-3-yl]amino]benzonitrile

C11H10FN3O — CID 129413694

IUPAC2-fluoro-6-[[(3S)-5-oxopyrrolidin-3-yl]amino]benzonitrile
SMILESN#Cc1c(F)cccc1N[C@@H]1CNC(=O)C1
InChIInChI=1S/C11H10FN3O/c12-9-2-1-3-10(8(9)5-13)15-7-4-11(16)14-6-7/h1-3,7,15H,4,6H2,(H,14,16)/t7-/m0/s1
InChIKeyVCWPGCMJMDYBKT-ZETCQYMHSA-N
MW219.22 g/mol
LogP1.00
Rot. Bonds2

About 2-fluoro-6-[[(3S)-5-oxopyrrolidin-3-yl]amino]benzonitrile

2-fluoro-6-[[(3S)-5-oxopyrrolidin-3-yl]amino]benzonitrile (PubChem CID 129413694) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 2-fluoro-6-[[(3S)-5-oxopyrrolidin-3-yl]amino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[[(3S)-5-oxopyrrolidin-3-yl]amino]benzonitrile
PubChem CID129413694
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name2-fluoro-6-[[(3S)-5-oxopyrrolidin-3-yl]amino]benzonitrile
SMILESN#Cc1c(F)cccc1N[C@@H]1CNC(=O)C1
InChIInChI=1S/C11H10FN3O/c12-9-2-1-3-10(8(9)5-13)15-7-4-11(16)14-6-7/h1-3,7,15H,4,6H2,(H,14,16)/t7-/m0/s1
InChIKeyVCWPGCMJMDYBKT-ZETCQYMHSA-N
XLogP1.00
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-6-[[(3S)-5-oxopyrrolidin-3-yl]amino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[(3S)-5-oxopyrrolidin-3-yl]amino]benzonitrile?
The IUPAC name of 2-fluoro-6-[[(3S)-5-oxopyrrolidin-3-yl]amino]benzonitrile (CID 129413694) is 2-fluoro-6-[[(3S)-5-oxopyrrolidin-3-yl]amino]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[[(3S)-5-oxopyrrolidin-3-yl]amino]benzonitrile?
The canonical SMILES for 2-fluoro-6-[[(3S)-5-oxopyrrolidin-3-yl]amino]benzonitrile is N#Cc1c(F)cccc1N[C@@H]1CNC(=O)C1.
What is the InChIKey of 2-fluoro-6-[[(3S)-5-oxopyrrolidin-3-yl]amino]benzonitrile?
The InChIKey is VCWPGCMJMDYBKT-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H10FN3O/c12-9-2-1-3-10(8(9)5-13)15-7-4-11(16)14-6-7/h1-3,7,15H,4,6H2,(H,14,16)/t7-/m0/s1.
What are the key properties of 2-fluoro-6-[[(3S)-5-oxopyrrolidin-3-yl]amino]benzonitrile?
2-fluoro-6-[[(3S)-5-oxopyrrolidin-3-yl]amino]benzonitrile has a molecular weight of 219.22 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[(3S)-5-oxopyrrolidin-3-yl]amino]benzonitrile is sourced from PubChem (CID 129413694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).