N-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide

C8H8FN3O — CID 45119272

IUPACN-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide
SMILESC=C(NC(C)=O)c1ncc(F)cn1
InChIInChI=1S/C8H8FN3O/c1-5(12-6(2)13)8-10-3-7(9)4-11-8/h3-4H,1H2,2H3,(H,12,13)
InChIKeyOGRMNTHNSGWGGX-UHFFFAOYSA-N
MW181.17 g/mol
LogP0.72
Rot. Bonds2

About N-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide

N-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide (PubChem CID 45119272) has the molecular formula C8H8FN3O and a molecular weight of 181.17 g/mol. Its IUPAC name is N-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide.

Molecular Properties

Compound NameN-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide
PubChem CID45119272
Molecular FormulaC8H8FN3O
Molecular Weight181.17 g/mol
Exact Mass181.07
IUPAC NameN-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide
SMILESC=C(NC(C)=O)c1ncc(F)cn1
InChIInChI=1S/C8H8FN3O/c1-5(12-6(2)13)8-10-3-7(9)4-11-8/h3-4H,1H2,2H3,(H,12,13)
InChIKeyOGRMNTHNSGWGGX-UHFFFAOYSA-N
XLogP0.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide?
The IUPAC name of N-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide (CID 45119272) is N-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide.
What is the SMILES notation for N-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide?
The canonical SMILES for N-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide is C=C(NC(C)=O)c1ncc(F)cn1.
What is the InChIKey of N-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide?
The InChIKey is OGRMNTHNSGWGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O/c1-5(12-6(2)13)8-10-3-7(9)4-11-8/h3-4H,1H2,2H3,(H,12,13).
What are the key properties of N-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide?
N-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide has a molecular weight of 181.17 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide is sourced from PubChem (CID 45119272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).