5-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1H-pyrimidin-6-one

C9H9FN2O — CID 166841813

IUPAC5-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1H-pyrimidin-6-one
SMILESC=Cc1c(/C(F)=C\C)nc[nH]c1=O
InChIInChI=1S/C9H9FN2O/c1-3-6-8(7(10)4-2)11-5-12-9(6)13/h3-5H,1H2,2H3,(H,11,12,13)/b7-4+
InChIKeyDDTAWKOKEIOCCR-QPJJXVBHSA-N
MW180.18 g/mol
LogP1.74
Rot. Bonds2

About 5-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1H-pyrimidin-6-one

5-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1H-pyrimidin-6-one (PubChem CID 166841813) has the molecular formula C9H9FN2O and a molecular weight of 180.18 g/mol. Its IUPAC name is 5-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1H-pyrimidin-6-one
PubChem CID166841813
Molecular FormulaC9H9FN2O
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name5-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1H-pyrimidin-6-one
SMILESC=Cc1c(/C(F)=C\C)nc[nH]c1=O
InChIInChI=1S/C9H9FN2O/c1-3-6-8(7(10)4-2)11-5-12-9(6)13/h3-5H,1H2,2H3,(H,11,12,13)/b7-4+
InChIKeyDDTAWKOKEIOCCR-QPJJXVBHSA-N
XLogP1.74
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1H-pyrimidin-6-one (CID 166841813) is 5-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1H-pyrimidin-6-one is C=Cc1c(/C(F)=C\C)nc[nH]c1=O.
What is the InChIKey of 5-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1H-pyrimidin-6-one?
The InChIKey is DDTAWKOKEIOCCR-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H9FN2O/c1-3-6-8(7(10)4-2)11-5-12-9(6)13/h3-5H,1H2,2H3,(H,11,12,13)/b7-4+.
What are the key properties of 5-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1H-pyrimidin-6-one?
5-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1H-pyrimidin-6-one has a molecular weight of 180.18 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 166841813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).