(Z)-N-(3-fluoroazetidin-1-yl)but-2-enamide

C7H11FN2O — CID 146183473

IUPAC(Z)-N-(3-fluoroazetidin-1-yl)but-2-enamide
SMILESC/C=C\C(=O)NN1CC(F)C1
InChIInChI=1S/C7H11FN2O/c1-2-3-7(11)9-10-4-6(8)5-10/h2-3,6H,4-5H2,1H3,(H,9,11)/b3-2-
InChIKeyZXUFTRHASXWWEX-IHWYPQMZSA-N
MW158.18 g/mol
LogP0.25
Rot. Bonds2

About (Z)-N-(3-fluoroazetidin-1-yl)but-2-enamide

(Z)-N-(3-fluoroazetidin-1-yl)but-2-enamide (PubChem CID 146183473) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is (Z)-N-(3-fluoroazetidin-1-yl)but-2-enamide.

Molecular Properties

Compound Name(Z)-N-(3-fluoroazetidin-1-yl)but-2-enamide
PubChem CID146183473
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name(Z)-N-(3-fluoroazetidin-1-yl)but-2-enamide
SMILESC/C=C\C(=O)NN1CC(F)C1
InChIInChI=1S/C7H11FN2O/c1-2-3-7(11)9-10-4-6(8)5-10/h2-3,6H,4-5H2,1H3,(H,9,11)/b3-2-
InChIKeyZXUFTRHASXWWEX-IHWYPQMZSA-N
XLogP0.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3-fluoroazetidin-1-yl)but-2-enamide?
The IUPAC name of (Z)-N-(3-fluoroazetidin-1-yl)but-2-enamide (CID 146183473) is (Z)-N-(3-fluoroazetidin-1-yl)but-2-enamide.
What is the SMILES notation for (Z)-N-(3-fluoroazetidin-1-yl)but-2-enamide?
The canonical SMILES for (Z)-N-(3-fluoroazetidin-1-yl)but-2-enamide is C/C=C\C(=O)NN1CC(F)C1.
What is the InChIKey of (Z)-N-(3-fluoroazetidin-1-yl)but-2-enamide?
The InChIKey is ZXUFTRHASXWWEX-IHWYPQMZSA-N. The full InChI is InChI=1S/C7H11FN2O/c1-2-3-7(11)9-10-4-6(8)5-10/h2-3,6H,4-5H2,1H3,(H,9,11)/b3-2-.
What are the key properties of (Z)-N-(3-fluoroazetidin-1-yl)but-2-enamide?
(Z)-N-(3-fluoroazetidin-1-yl)but-2-enamide has a molecular weight of 158.18 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-fluoroazetidin-1-yl)but-2-enamide is sourced from PubChem (CID 146183473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).