2-(2-fluorophenyl)-5-iminopyrrolidine-1-carboxamide

C11H12FN3O — CID 177027164

IUPAC2-(2-fluorophenyl)-5-iminopyrrolidine-1-carboxamide
SMILES[H]/N=C1\CCC(c2ccccc2F)N1C(N)=O
InChIInChI=1S/C11H12FN3O/c12-8-4-2-1-3-7(8)9-5-6-10(13)15(9)11(14)16/h1-4,9,13H,5-6H2,(H2,14,16)/b13-10+
InChIKeyHUNZMPWWHKUKEA-JLHYYAGUSA-N
MW221.24 g/mol
LogP2.02
Rot. Bonds1

About 2-(2-fluorophenyl)-5-iminopyrrolidine-1-carboxamide

2-(2-fluorophenyl)-5-iminopyrrolidine-1-carboxamide (PubChem CID 177027164) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-iminopyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-iminopyrrolidine-1-carboxamide
PubChem CID177027164
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name2-(2-fluorophenyl)-5-iminopyrrolidine-1-carboxamide
SMILES[H]/N=C1\CCC(c2ccccc2F)N1C(N)=O
InChIInChI=1S/C11H12FN3O/c12-8-4-2-1-3-7(8)9-5-6-10(13)15(9)11(14)16/h1-4,9,13H,5-6H2,(H2,14,16)/b13-10+
InChIKeyHUNZMPWWHKUKEA-JLHYYAGUSA-N
XLogP2.02
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(2-fluorophenyl)-5-iminopyrrolidine-1-carboxamide 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-(2-fluorophenyl)-5-iminopyrrolidine-1-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-5-iminopyrrolidine-1-carboxamide (CID 177027164) is 2-(2-fluorophenyl)-5-iminopyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-5-iminopyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-5-iminopyrrolidine-1-carboxamide is [H]/N=C1\CCC(c2ccccc2F)N1C(N)=O.
What is the InChIKey of 2-(2-fluorophenyl)-5-iminopyrrolidine-1-carboxamide?
The InChIKey is HUNZMPWWHKUKEA-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H12FN3O/c12-8-4-2-1-3-7(8)9-5-6-10(13)15(9)11(14)16/h1-4,9,13H,5-6H2,(H2,14,16)/b13-10+.
What are the key properties of 2-(2-fluorophenyl)-5-iminopyrrolidine-1-carboxamide?
2-(2-fluorophenyl)-5-iminopyrrolidine-1-carboxamide has a molecular weight of 221.24 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-iminopyrrolidine-1-carboxamide is sourced from PubChem (CID 177027164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).