5-fluoro-4-prop-1-en-2-yl-1H-pyrimidin-6-one

C7H7FN2O — CID 155726200

IUPAC5-fluoro-4-prop-1-en-2-yl-1H-pyrimidin-6-one
SMILESC=C(C)c1nc[nH]c(=O)c1F
InChIInChI=1S/C7H7FN2O/c1-4(2)6-5(8)7(11)10-3-9-6/h3H,1H2,2H3,(H,9,10,11)
InChIKeyAEBQPLYGOZAPTC-UHFFFAOYSA-N
MW154.14 g/mol
LogP0.94
Rot. Bonds1

About 5-fluoro-4-prop-1-en-2-yl-1H-pyrimidin-6-one

5-fluoro-4-prop-1-en-2-yl-1H-pyrimidin-6-one (PubChem CID 155726200) has the molecular formula C7H7FN2O and a molecular weight of 154.14 g/mol. Its IUPAC name is 5-fluoro-4-prop-1-en-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-4-prop-1-en-2-yl-1H-pyrimidin-6-one
PubChem CID155726200
Molecular FormulaC7H7FN2O
Molecular Weight154.14 g/mol
Exact Mass154.05
IUPAC Name5-fluoro-4-prop-1-en-2-yl-1H-pyrimidin-6-one
SMILESC=C(C)c1nc[nH]c(=O)c1F
InChIInChI=1S/C7H7FN2O/c1-4(2)6-5(8)7(11)10-3-9-6/h3H,1H2,2H3,(H,9,10,11)
InChIKeyAEBQPLYGOZAPTC-UHFFFAOYSA-N
XLogP0.94
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-prop-1-en-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-4-prop-1-en-2-yl-1H-pyrimidin-6-one (CID 155726200) is 5-fluoro-4-prop-1-en-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-4-prop-1-en-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-4-prop-1-en-2-yl-1H-pyrimidin-6-one is C=C(C)c1nc[nH]c(=O)c1F.
What is the InChIKey of 5-fluoro-4-prop-1-en-2-yl-1H-pyrimidin-6-one?
The InChIKey is AEBQPLYGOZAPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O/c1-4(2)6-5(8)7(11)10-3-9-6/h3H,1H2,2H3,(H,9,10,11).
What are the key properties of 5-fluoro-4-prop-1-en-2-yl-1H-pyrimidin-6-one?
5-fluoro-4-prop-1-en-2-yl-1H-pyrimidin-6-one has a molecular weight of 154.14 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-prop-1-en-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 155726200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).