(6E)-6-[(E)-2-fluoropent-2-enylidene]-5-methylidene-1-propylpyridin-2-one

C14H18FNO — CID 71032511

IUPAC(6E)-6-[(E)-2-fluoropent-2-enylidene]-5-methylidene-1-propylpyridin-2-one
SMILESC=c1ccc(=O)n(CCC)/c1=C/C(F)=C\CC
InChIInChI=1S/C14H18FNO/c1-4-6-12(15)10-13-11(3)7-8-14(17)16(13)9-5-2/h6-8,10H,3-5,9H2,1-2H3/b12-6+,13-10+
InChIKeyDQIUTCGFCNBIFC-WAAHFECUSA-N
MW235.30 g/mol
LogP1.71
Rot. Bonds4

About (6E)-6-[(E)-2-fluoropent-2-enylidene]-5-methylidene-1-propylpyridin-2-one

(6E)-6-[(E)-2-fluoropent-2-enylidene]-5-methylidene-1-propylpyridin-2-one (PubChem CID 71032511) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is (6E)-6-[(E)-2-fluoropent-2-enylidene]-5-methylidene-1-propylpyridin-2-one.

Molecular Properties

Compound Name(6E)-6-[(E)-2-fluoropent-2-enylidene]-5-methylidene-1-propylpyridin-2-one
PubChem CID71032511
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name(6E)-6-[(E)-2-fluoropent-2-enylidene]-5-methylidene-1-propylpyridin-2-one
SMILESC=c1ccc(=O)n(CCC)/c1=C/C(F)=C\CC
InChIInChI=1S/C14H18FNO/c1-4-6-12(15)10-13-11(3)7-8-14(17)16(13)9-5-2/h6-8,10H,3-5,9H2,1-2H3/b12-6+,13-10+
InChIKeyDQIUTCGFCNBIFC-WAAHFECUSA-N
XLogP1.71
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-[(E)-2-fluoropent-2-enylidene]-5-methylidene-1-propylpyridin-2-one?
The IUPAC name of (6E)-6-[(E)-2-fluoropent-2-enylidene]-5-methylidene-1-propylpyridin-2-one (CID 71032511) is (6E)-6-[(E)-2-fluoropent-2-enylidene]-5-methylidene-1-propylpyridin-2-one.
What is the SMILES notation for (6E)-6-[(E)-2-fluoropent-2-enylidene]-5-methylidene-1-propylpyridin-2-one?
The canonical SMILES for (6E)-6-[(E)-2-fluoropent-2-enylidene]-5-methylidene-1-propylpyridin-2-one is C=c1ccc(=O)n(CCC)/c1=C/C(F)=C\CC.
What is the InChIKey of (6E)-6-[(E)-2-fluoropent-2-enylidene]-5-methylidene-1-propylpyridin-2-one?
The InChIKey is DQIUTCGFCNBIFC-WAAHFECUSA-N. The full InChI is InChI=1S/C14H18FNO/c1-4-6-12(15)10-13-11(3)7-8-14(17)16(13)9-5-2/h6-8,10H,3-5,9H2,1-2H3/b12-6+,13-10+.
What are the key properties of (6E)-6-[(E)-2-fluoropent-2-enylidene]-5-methylidene-1-propylpyridin-2-one?
(6E)-6-[(E)-2-fluoropent-2-enylidene]-5-methylidene-1-propylpyridin-2-one has a molecular weight of 235.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(E)-2-fluoropent-2-enylidene]-5-methylidene-1-propylpyridin-2-one is sourced from PubChem (CID 71032511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).