N'-fluoro-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanehydrazide

C8H12FN3O3 — CID 153342826

IUPACN'-fluoro-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanehydrazide
SMILESCC1CC(=O)N(CCC(=O)NNF)C1=O
InChIInChI=1S/C8H12FN3O3/c1-5-4-7(14)12(8(5)15)3-2-6(13)10-11-9/h5,11H,2-4H2,1H3,(H,10,13)
InChIKeyKWTKWIHTWDRNDG-UHFFFAOYSA-N
MW217.20 g/mol
LogP-0.72
Rot. Bonds4

About N'-fluoro-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanehydrazide

N'-fluoro-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanehydrazide (PubChem CID 153342826) has the molecular formula C8H12FN3O3 and a molecular weight of 217.20 g/mol. Its IUPAC name is N'-fluoro-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanehydrazide.

Molecular Properties

Compound NameN'-fluoro-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanehydrazide
PubChem CID153342826
Molecular FormulaC8H12FN3O3
Molecular Weight217.20 g/mol
Exact Mass217.09
IUPAC NameN'-fluoro-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanehydrazide
SMILESCC1CC(=O)N(CCC(=O)NNF)C1=O
InChIInChI=1S/C8H12FN3O3/c1-5-4-7(14)12(8(5)15)3-2-6(13)10-11-9/h5,11H,2-4H2,1H3,(H,10,13)
InChIKeyKWTKWIHTWDRNDG-UHFFFAOYSA-N
XLogP-0.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 90191256
N-(2-azidoethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 59757292
N-(5-acetamidopentyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 58519834
5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide
CID 63578183
3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-[3-(2-methylhydrazinyl)-3-oxopropoxy]butan-2-yl]propanamide
CID 174277679
N-(4-methoxybutyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 59331203
3-acetyl-N,N'-bis[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]pentanediamide
CID 59446018
3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanethioamide
CID 61238117
N-(4-amino-2-chlorophenyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 61236635
ethane;6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanehydrazide
CID 153342824
2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl N-ethylcarbamate
CID 167208030
N-(2-butoxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 163865588

Frequently Asked Questions

What is the IUPAC name of N'-fluoro-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanehydrazide?
The IUPAC name of N'-fluoro-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanehydrazide (CID 153342826) is N'-fluoro-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanehydrazide.
What is the SMILES notation for N'-fluoro-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanehydrazide?
The canonical SMILES for N'-fluoro-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanehydrazide is CC1CC(=O)N(CCC(=O)NNF)C1=O.
What is the InChIKey of N'-fluoro-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanehydrazide?
The InChIKey is KWTKWIHTWDRNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O3/c1-5-4-7(14)12(8(5)15)3-2-6(13)10-11-9/h5,11H,2-4H2,1H3,(H,10,13).
What are the key properties of N'-fluoro-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanehydrazide?
N'-fluoro-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanehydrazide has a molecular weight of 217.20 g/mol, XLogP of -0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-fluoro-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanehydrazide is sourced from PubChem (CID 153342826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).