N-(3-fluoro-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide

C9H13FN2O3 — CID 126680418

IUPACN-(3-fluoro-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide
SMILESO=CN1CCCC1C(=O)NCC(=O)CF
InChIInChI=1S/C9H13FN2O3/c10-4-7(14)5-11-9(15)8-2-1-3-12(8)6-13/h6,8H,1-5H2,(H,11,15)
InChIKeyHVNWZSRAQAJQMG-UHFFFAOYSA-N
MW216.21 g/mol
LogP-0.74
Rot. Bonds5

About N-(3-fluoro-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide

N-(3-fluoro-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide (PubChem CID 126680418) has the molecular formula C9H13FN2O3 and a molecular weight of 216.21 g/mol. Its IUPAC name is N-(3-fluoro-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide
PubChem CID126680418
Molecular FormulaC9H13FN2O3
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC NameN-(3-fluoro-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide
SMILESO=CN1CCCC1C(=O)NCC(=O)CF
InChIInChI=1S/C9H13FN2O3/c10-4-7(14)5-11-9(15)8-2-1-3-12(8)6-13/h6,8H,1-5H2,(H,11,15)
InChIKeyHVNWZSRAQAJQMG-UHFFFAOYSA-N
XLogP-0.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-fluoro-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-formyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 146357979
(2R)-1-formylpyrrolidine-2-carboxamide
CID 144804081
1-formyl-N-propylazetidine-2-carboxamide
CID 87282789
(2S)-N-[(2Z,4E,6Z)-5-(aminomethyl)-2-methoxy-7-(methylideneamino)-6-methylsulfanylocta-2,4,6-trienyl]-1-formylpyrrolidine-2-carboxamide
CID 169229073
1-formyl-N-(5-methyl-2-oxohexan-3-yl)pyrrolidine-2-carboxamide
CID 88557039
N-(1-ethoxy-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide
CID 143544049
(2S)-1-formylpiperidine-2-carboxylic acid
CID 65439701
(4R)-N-(3-fluoro-2-oxopropyl)-4-hydroxy-1-methylpyrrolidine-2-carboxamide
CID 155418358
ethanamine;ethane;(2S)-1-formylpyrrolidine-2-carboxamide
CID 143879707
ethyl 1-formylpyrrolidine-2-carboxylate
CID 18469486
(2S)-1-formyl-N-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)pyrrolidine-2-carboxamide
CID 134831076
1-formyl-N-(2-oxohept-6-yn-3-yl)pyrrolidine-2-carboxamide
CID 143360223

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3-fluoro-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide (CID 126680418) is N-(3-fluoro-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-fluoro-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide is O=CN1CCCC1C(=O)NCC(=O)CF.
What is the InChIKey of N-(3-fluoro-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide?
The InChIKey is HVNWZSRAQAJQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O3/c10-4-7(14)5-11-9(15)8-2-1-3-12(8)6-13/h6,8H,1-5H2,(H,11,15).
What are the key properties of N-(3-fluoro-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide?
N-(3-fluoro-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide has a molecular weight of 216.21 g/mol, XLogP of -0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide is sourced from PubChem (CID 126680418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).