N-(azetidin-3-yl)-2-fluoro-N,3-dimethylbut-2-enamide

C9H15FN2O — CID 131204136

IUPACN-(azetidin-3-yl)-2-fluoro-N,3-dimethylbut-2-enamide
SMILESCC(C)=C(F)C(=O)N(C)C1CNC1
InChIInChI=1S/C9H15FN2O/c1-6(2)8(10)9(13)12(3)7-4-11-5-7/h7,11H,4-5H2,1-3H3
InChIKeyFIDSHHDDQFHEBF-UHFFFAOYSA-N
MW186.23 g/mol
LogP0.68
Rot. Bonds2

About N-(azetidin-3-yl)-2-fluoro-N,3-dimethylbut-2-enamide

N-(azetidin-3-yl)-2-fluoro-N,3-dimethylbut-2-enamide (PubChem CID 131204136) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-fluoro-N,3-dimethylbut-2-enamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-fluoro-N,3-dimethylbut-2-enamide
PubChem CID131204136
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC NameN-(azetidin-3-yl)-2-fluoro-N,3-dimethylbut-2-enamide
SMILESCC(C)=C(F)C(=O)N(C)C1CNC1
InChIInChI=1S/C9H15FN2O/c1-6(2)8(10)9(13)12(3)7-4-11-5-7/h7,11H,4-5H2,1-3H3
InChIKeyFIDSHHDDQFHEBF-UHFFFAOYSA-N
XLogP0.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 50.68
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 N-(azetidin-3-yl)-2-fluoro-N,3-dimethylbut-2-enamide?
The IUPAC name of N-(azetidin-3-yl)-2-fluoro-N,3-dimethylbut-2-enamide (CID 131204136) is N-(azetidin-3-yl)-2-fluoro-N,3-dimethylbut-2-enamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-fluoro-N,3-dimethylbut-2-enamide?
The canonical SMILES for N-(azetidin-3-yl)-2-fluoro-N,3-dimethylbut-2-enamide is CC(C)=C(F)C(=O)N(C)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-2-fluoro-N,3-dimethylbut-2-enamide?
The InChIKey is FIDSHHDDQFHEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-6(2)8(10)9(13)12(3)7-4-11-5-7/h7,11H,4-5H2,1-3H3.
What are the key properties of N-(azetidin-3-yl)-2-fluoro-N,3-dimethylbut-2-enamide?
N-(azetidin-3-yl)-2-fluoro-N,3-dimethylbut-2-enamide has a molecular weight of 186.23 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-fluoro-N,3-dimethylbut-2-enamide is sourced from PubChem (CID 131204136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).