1-acetyl-4-fluoropyrrolidine-2-carbohydrazide

C7H12FN3O2 — CID 130815402

IUPAC1-acetyl-4-fluoropyrrolidine-2-carbohydrazide
SMILESCC(=O)N1CC(F)CC1C(=O)NN
InChIInChI=1S/C7H12FN3O2/c1-4(12)11-3-5(8)2-6(11)7(13)10-9/h5-6H,2-3,9H2,1H3,(H,10,13)
InChIKeyZNPWPEFPRLOPFS-UHFFFAOYSA-N
MW189.19 g/mol
LogP-1.06
Rot. Bonds1

About 1-acetyl-4-fluoropyrrolidine-2-carbohydrazide

1-acetyl-4-fluoropyrrolidine-2-carbohydrazide (PubChem CID 130815402) has the molecular formula C7H12FN3O2 and a molecular weight of 189.19 g/mol. Its IUPAC name is 1-acetyl-4-fluoropyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name1-acetyl-4-fluoropyrrolidine-2-carbohydrazide
PubChem CID130815402
Molecular FormulaC7H12FN3O2
Molecular Weight189.19 g/mol
Exact Mass189.09
IUPAC Name1-acetyl-4-fluoropyrrolidine-2-carbohydrazide
SMILESCC(=O)N1CC(F)CC1C(=O)NN
InChIInChI=1S/C7H12FN3O2/c1-4(12)11-3-5(8)2-6(11)7(13)10-9/h5-6H,2-3,9H2,1H3,(H,10,13)
InChIKeyZNPWPEFPRLOPFS-UHFFFAOYSA-N
XLogP-1.06
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-fluoropyrrolidine-2-carbohydrazide?
The IUPAC name of 1-acetyl-4-fluoropyrrolidine-2-carbohydrazide (CID 130815402) is 1-acetyl-4-fluoropyrrolidine-2-carbohydrazide.
What is the SMILES notation for 1-acetyl-4-fluoropyrrolidine-2-carbohydrazide?
The canonical SMILES for 1-acetyl-4-fluoropyrrolidine-2-carbohydrazide is CC(=O)N1CC(F)CC1C(=O)NN.
What is the InChIKey of 1-acetyl-4-fluoropyrrolidine-2-carbohydrazide?
The InChIKey is ZNPWPEFPRLOPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3O2/c1-4(12)11-3-5(8)2-6(11)7(13)10-9/h5-6H,2-3,9H2,1H3,(H,10,13).
What are the key properties of 1-acetyl-4-fluoropyrrolidine-2-carbohydrazide?
1-acetyl-4-fluoropyrrolidine-2-carbohydrazide has a molecular weight of 189.19 g/mol, XLogP of -1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-fluoropyrrolidine-2-carbohydrazide is sourced from PubChem (CID 130815402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).