2-[(5Z,6E)-5-(1-fluoroprop-2-enylidene)-4-oxo-6-propylidene-1H-pyridin-2-yl]acetamide

C13H15FN2O2 — CID 143751508

IUPAC2-[(5Z,6E)-5-(1-fluoroprop-2-enylidene)-4-oxo-6-propylidene-1H-pyridin-2-yl]acetamide
SMILESC=C/C(F)=c1/c(=O)cc(CC(N)=O)[nH]/c1=C/CC
InChIInChI=1S/C13H15FN2O2/c1-3-5-10-13(9(14)4-2)11(17)6-8(16-10)7-12(15)18/h4-6,16H,2-3,7H2,1H3,(H2,15,18)/b10-5+,13-9-
InChIKeyOYIZBSSFVRLUSP-ZNLVGOBOSA-N
MW250.27 g/mol
LogP-0.14
Rot. Bonds4

About 2-[(5Z,6E)-5-(1-fluoroprop-2-enylidene)-4-oxo-6-propylidene-1H-pyridin-2-yl]acetamide

2-[(5Z,6E)-5-(1-fluoroprop-2-enylidene)-4-oxo-6-propylidene-1H-pyridin-2-yl]acetamide (PubChem CID 143751508) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-[(5Z,6E)-5-(1-fluoroprop-2-enylidene)-4-oxo-6-propylidene-1H-pyridin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(5Z,6E)-5-(1-fluoroprop-2-enylidene)-4-oxo-6-propylidene-1H-pyridin-2-yl]acetamide
PubChem CID143751508
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name2-[(5Z,6E)-5-(1-fluoroprop-2-enylidene)-4-oxo-6-propylidene-1H-pyridin-2-yl]acetamide
SMILESC=C/C(F)=c1/c(=O)cc(CC(N)=O)[nH]/c1=C/CC
InChIInChI=1S/C13H15FN2O2/c1-3-5-10-13(9(14)4-2)11(17)6-8(16-10)7-12(15)18/h4-6,16H,2-3,7H2,1H3,(H2,15,18)/b10-5+,13-9-
InChIKeyOYIZBSSFVRLUSP-ZNLVGOBOSA-N
XLogP-0.14
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5Z,6E)-5-(1-fluoroprop-2-enylidene)-4-oxo-6-propylidene-1H-pyridin-2-yl]acetamide?
The IUPAC name of 2-[(5Z,6E)-5-(1-fluoroprop-2-enylidene)-4-oxo-6-propylidene-1H-pyridin-2-yl]acetamide (CID 143751508) is 2-[(5Z,6E)-5-(1-fluoroprop-2-enylidene)-4-oxo-6-propylidene-1H-pyridin-2-yl]acetamide.
What is the SMILES notation for 2-[(5Z,6E)-5-(1-fluoroprop-2-enylidene)-4-oxo-6-propylidene-1H-pyridin-2-yl]acetamide?
The canonical SMILES for 2-[(5Z,6E)-5-(1-fluoroprop-2-enylidene)-4-oxo-6-propylidene-1H-pyridin-2-yl]acetamide is C=C/C(F)=c1/c(=O)cc(CC(N)=O)[nH]/c1=C/CC.
What is the InChIKey of 2-[(5Z,6E)-5-(1-fluoroprop-2-enylidene)-4-oxo-6-propylidene-1H-pyridin-2-yl]acetamide?
The InChIKey is OYIZBSSFVRLUSP-ZNLVGOBOSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-3-5-10-13(9(14)4-2)11(17)6-8(16-10)7-12(15)18/h4-6,16H,2-3,7H2,1H3,(H2,15,18)/b10-5+,13-9-.
What are the key properties of 2-[(5Z,6E)-5-(1-fluoroprop-2-enylidene)-4-oxo-6-propylidene-1H-pyridin-2-yl]acetamide?
2-[(5Z,6E)-5-(1-fluoroprop-2-enylidene)-4-oxo-6-propylidene-1H-pyridin-2-yl]acetamide has a molecular weight of 250.27 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z,6E)-5-(1-fluoroprop-2-enylidene)-4-oxo-6-propylidene-1H-pyridin-2-yl]acetamide is sourced from PubChem (CID 143751508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).