3-(3-fluoropyrrolidin-1-yl)-2-methylbutanehydrazide

C9H18FN3O — CID 164657948

IUPAC3-(3-fluoropyrrolidin-1-yl)-2-methylbutanehydrazide
SMILESCC(C(=O)NN)C(C)N1CCC(F)C1
InChIInChI=1S/C9H18FN3O/c1-6(9(14)12-11)7(2)13-4-3-8(10)5-13/h6-8H,3-5,11H2,1-2H3,(H,12,14)
InChIKeyQPNXSSKCPYBHRG-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.04
Rot. Bonds3

About 3-(3-fluoropyrrolidin-1-yl)-2-methylbutanehydrazide

3-(3-fluoropyrrolidin-1-yl)-2-methylbutanehydrazide (PubChem CID 164657948) has the molecular formula C9H18FN3O and a molecular weight of 203.26 g/mol. Its IUPAC name is 3-(3-fluoropyrrolidin-1-yl)-2-methylbutanehydrazide.

Molecular Properties

Compound Name3-(3-fluoropyrrolidin-1-yl)-2-methylbutanehydrazide
PubChem CID164657948
Molecular FormulaC9H18FN3O
Molecular Weight203.26 g/mol
Exact Mass203.14
IUPAC Name3-(3-fluoropyrrolidin-1-yl)-2-methylbutanehydrazide
SMILESCC(C(=O)NN)C(C)N1CCC(F)C1
InChIInChI=1S/C9H18FN3O/c1-6(9(14)12-11)7(2)13-4-3-8(10)5-13/h6-8H,3-5,11H2,1-2H3,(H,12,14)
InChIKeyQPNXSSKCPYBHRG-UHFFFAOYSA-N
XLogP0.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.04
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'}

Analyze 3-(3-fluoropyrrolidin-1-yl)-2-methylbutanehydrazide 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 3-(3-fluoropyrrolidin-1-yl)-2-methylbutanehydrazide?
The IUPAC name of 3-(3-fluoropyrrolidin-1-yl)-2-methylbutanehydrazide (CID 164657948) is 3-(3-fluoropyrrolidin-1-yl)-2-methylbutanehydrazide.
What is the SMILES notation for 3-(3-fluoropyrrolidin-1-yl)-2-methylbutanehydrazide?
The canonical SMILES for 3-(3-fluoropyrrolidin-1-yl)-2-methylbutanehydrazide is CC(C(=O)NN)C(C)N1CCC(F)C1.
What is the InChIKey of 3-(3-fluoropyrrolidin-1-yl)-2-methylbutanehydrazide?
The InChIKey is QPNXSSKCPYBHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN3O/c1-6(9(14)12-11)7(2)13-4-3-8(10)5-13/h6-8H,3-5,11H2,1-2H3,(H,12,14).
What are the key properties of 3-(3-fluoropyrrolidin-1-yl)-2-methylbutanehydrazide?
3-(3-fluoropyrrolidin-1-yl)-2-methylbutanehydrazide has a molecular weight of 203.26 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropyrrolidin-1-yl)-2-methylbutanehydrazide is sourced from PubChem (CID 164657948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).