3-fluoropyrrolidine-1-carbohydrazide

C5H10FN3O — CID 155317183

IUPAC3-fluoropyrrolidine-1-carbohydrazide
SMILESNNC(=O)N1CCC(F)C1
InChIInChI=1S/C5H10FN3O/c6-4-1-2-9(3-4)5(10)8-7/h4H,1-3,7H2,(H,8,10)
InChIKeyWLUWSNYIAHNVKW-UHFFFAOYSA-N
MW147.15 g/mol
LogP-0.39
Rot. Bonds

About 3-fluoropyrrolidine-1-carbohydrazide

3-fluoropyrrolidine-1-carbohydrazide (PubChem CID 155317183) has the molecular formula C5H10FN3O and a molecular weight of 147.15 g/mol. Its IUPAC name is 3-fluoropyrrolidine-1-carbohydrazide.

Molecular Properties

Compound Name3-fluoropyrrolidine-1-carbohydrazide
PubChem CID155317183
Molecular FormulaC5H10FN3O
Molecular Weight147.15 g/mol
Exact Mass147.08
IUPAC Name3-fluoropyrrolidine-1-carbohydrazide
SMILESNNC(=O)N1CCC(F)C1
InChIInChI=1S/C5H10FN3O/c6-4-1-2-9(3-4)5(10)8-7/h4H,1-3,7H2,(H,8,10)
InChIKeyWLUWSNYIAHNVKW-UHFFFAOYSA-N
XLogP-0.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-fluoropyrrolidine-1-carboxylic acid
CID 21071719
3-fluoropyrrolidine-1-carbonyl chloride
CID 175546868
3-fluoro-N-methoxyazepane-1-carboxamide
CID 131177037
1-(hydrazinecarbonyl)piperidine-3-carboxamide
CID 43164061
3-fluoro-N-piperidin-2-ylpyrrolidine-1-carboxamide
CID 54450911
1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone
CID 129494766
1-(3-fluoropyrrolidin-1-yl)-2-(methylamino)ethanone
CID 121200892
[(3S)-3-fluoropyrrolidin-1-yl]-(6-hydrazinylpyrazin-2-yl)methanone
CID 142587498
(3-fluoropyrrolidin-1-yl)-(6-hydrazinylpyrazin-2-yl)methanone
CID 166894365
4-amino-1-(3-fluoropyrrolidin-1-yl)butan-1-one
CID 83854045
2-methyl-1,4-oxazepane-4-carbohydrazide
CID 62968526
(3-fluoropyrrolidin-1-yl)-(4-iodophenyl)methanone
CID 170122418

Frequently Asked Questions

What is the IUPAC name of 3-fluoropyrrolidine-1-carbohydrazide?
The IUPAC name of 3-fluoropyrrolidine-1-carbohydrazide (CID 155317183) is 3-fluoropyrrolidine-1-carbohydrazide.
What is the SMILES notation for 3-fluoropyrrolidine-1-carbohydrazide?
The canonical SMILES for 3-fluoropyrrolidine-1-carbohydrazide is NNC(=O)N1CCC(F)C1.
What is the InChIKey of 3-fluoropyrrolidine-1-carbohydrazide?
The InChIKey is WLUWSNYIAHNVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FN3O/c6-4-1-2-9(3-4)5(10)8-7/h4H,1-3,7H2,(H,8,10).
What are the key properties of 3-fluoropyrrolidine-1-carbohydrazide?
3-fluoropyrrolidine-1-carbohydrazide has a molecular weight of 147.15 g/mol, XLogP of -0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropyrrolidine-1-carbohydrazide is sourced from PubChem (CID 155317183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).