2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]-N-methylprop-2-enamide

C9H15FN2O2 — CID 172623870

IUPAC2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]-N-methylprop-2-enamide
SMILESC=C(CN1CC(F)(CO)C1)C(=O)NC
InChIInChI=1S/C9H15FN2O2/c1-7(8(14)11-2)3-12-4-9(10,5-12)6-13/h13H,1,3-6H2,2H3,(H,11,14)
InChIKeyNZSNWUUPKRHHAN-UHFFFAOYSA-N
MW202.23 g/mol
LogP-0.70
Rot. Bonds4

About 2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]-N-methylprop-2-enamide

2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]-N-methylprop-2-enamide (PubChem CID 172623870) has the molecular formula C9H15FN2O2 and a molecular weight of 202.23 g/mol. Its IUPAC name is 2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]-N-methylprop-2-enamide
PubChem CID172623870
Molecular FormulaC9H15FN2O2
Molecular Weight202.23 g/mol
Exact Mass202.11
IUPAC Name2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]-N-methylprop-2-enamide
SMILESC=C(CN1CC(F)(CO)C1)C(=O)NC
InChIInChI=1S/C9H15FN2O2/c1-7(8(14)11-2)3-12-4-9(10,5-12)6-13/h13H,1,3-6H2,2H3,(H,11,14)
InChIKeyNZSNWUUPKRHHAN-UHFFFAOYSA-N
XLogP-0.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-fluoroazetidin-1-yl)methyl]-N-methylprop-2-enamide
CID 172623407
2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]-N-propylprop-2-enamide
CID 172623669
2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-methylprop-2-enamide
CID 172623971
N-[3-(dimethylamino)-3-hydroxypropyl]-2-methylprop-2-enamide
CID 17895318
3-Hydroxypropyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 88608951

Frequently Asked Questions

What is the IUPAC name of 2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]-N-methylprop-2-enamide?
The IUPAC name of 2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]-N-methylprop-2-enamide (CID 172623870) is 2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]-N-methylprop-2-enamide.
What is the SMILES notation for 2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]-N-methylprop-2-enamide?
The canonical SMILES for 2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]-N-methylprop-2-enamide is C=C(CN1CC(F)(CO)C1)C(=O)NC.
What is the InChIKey of 2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]-N-methylprop-2-enamide?
The InChIKey is NZSNWUUPKRHHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O2/c1-7(8(14)11-2)3-12-4-9(10,5-12)6-13/h13H,1,3-6H2,2H3,(H,11,14).
What are the key properties of 2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]-N-methylprop-2-enamide?
2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]-N-methylprop-2-enamide has a molecular weight of 202.23 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]-N-methylprop-2-enamide is sourced from PubChem (CID 172623870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).