(E)-4-(3-fluoroazetidin-1-yl)but-2-enamide

C7H11FN2O — CID 145314664

IUPAC(E)-4-(3-fluoroazetidin-1-yl)but-2-enamide
SMILESNC(=O)/C=C/CN1CC(F)C1
InChIInChI=1S/C7H11FN2O/c8-6-4-10(5-6)3-1-2-7(9)11/h1-2,6H,3-5H2,(H2,9,11)/b2-1+
InChIKeyMTSATZLRKWKHRX-OWOJBTEDSA-N
MW158.18 g/mol
LogP-0.32
Rot. Bonds3

About (E)-4-(3-fluoroazetidin-1-yl)but-2-enamide

(E)-4-(3-fluoroazetidin-1-yl)but-2-enamide (PubChem CID 145314664) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is (E)-4-(3-fluoroazetidin-1-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-4-(3-fluoroazetidin-1-yl)but-2-enamide
PubChem CID145314664
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name(E)-4-(3-fluoroazetidin-1-yl)but-2-enamide
SMILESNC(=O)/C=C/CN1CC(F)C1
InChIInChI=1S/C7H11FN2O/c8-6-4-10(5-6)3-1-2-7(9)11/h1-2,6H,3-5H2,(H2,9,11)/b2-1+
InChIKeyMTSATZLRKWKHRX-OWOJBTEDSA-N
XLogP-0.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 5-0.32
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 (E)-4-(3-fluoroazetidin-1-yl)but-2-enamide?
The IUPAC name of (E)-4-(3-fluoroazetidin-1-yl)but-2-enamide (CID 145314664) is (E)-4-(3-fluoroazetidin-1-yl)but-2-enamide.
What is the SMILES notation for (E)-4-(3-fluoroazetidin-1-yl)but-2-enamide?
The canonical SMILES for (E)-4-(3-fluoroazetidin-1-yl)but-2-enamide is NC(=O)/C=C/CN1CC(F)C1.
What is the InChIKey of (E)-4-(3-fluoroazetidin-1-yl)but-2-enamide?
The InChIKey is MTSATZLRKWKHRX-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H11FN2O/c8-6-4-10(5-6)3-1-2-7(9)11/h1-2,6H,3-5H2,(H2,9,11)/b2-1+.
What are the key properties of (E)-4-(3-fluoroazetidin-1-yl)but-2-enamide?
(E)-4-(3-fluoroazetidin-1-yl)but-2-enamide has a molecular weight of 158.18 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-fluoroazetidin-1-yl)but-2-enamide is sourced from PubChem (CID 145314664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).