6-cyclopentyl-3-(fluoromethyl)-4-[(1Z)-penta-1,3-dienyl]-1H-pyridin-2-one

C16H20FNO — CID 176964774

IUPAC6-cyclopentyl-3-(fluoromethyl)-4-[(1Z)-penta-1,3-dienyl]-1H-pyridin-2-one
SMILESCC=C/C=C\c1cc(C2CCCC2)[nH]c(=O)c1CF
InChIInChI=1S/C16H20FNO/c1-2-3-4-9-13-10-15(12-7-5-6-8-12)18-16(19)14(13)11-17/h2-4,9-10,12H,5-8,11H2,1H3,(H,18,19)/b3-2?,9-4-
InChIKeyZVBPCHUITWDOND-RJYPJRHFSA-N
MW261.34 g/mol
LogP4.09
Rot. Bonds4

About 6-cyclopentyl-3-(fluoromethyl)-4-[(1Z)-penta-1,3-dienyl]-1H-pyridin-2-one

6-cyclopentyl-3-(fluoromethyl)-4-[(1Z)-penta-1,3-dienyl]-1H-pyridin-2-one (PubChem CID 176964774) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is 6-cyclopentyl-3-(fluoromethyl)-4-[(1Z)-penta-1,3-dienyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-cyclopentyl-3-(fluoromethyl)-4-[(1Z)-penta-1,3-dienyl]-1H-pyridin-2-one
PubChem CID176964774
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name6-cyclopentyl-3-(fluoromethyl)-4-[(1Z)-penta-1,3-dienyl]-1H-pyridin-2-one
SMILESCC=C/C=C\c1cc(C2CCCC2)[nH]c(=O)c1CF
InChIInChI=1S/C16H20FNO/c1-2-3-4-9-13-10-15(12-7-5-6-8-12)18-16(19)14(13)11-17/h2-4,9-10,12H,5-8,11H2,1H3,(H,18,19)/b3-2?,9-4-
InChIKeyZVBPCHUITWDOND-RJYPJRHFSA-N
XLogP4.09
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-3-(fluoromethyl)-4-[(1Z)-penta-1,3-dienyl]-1H-pyridin-2-one?
The IUPAC name of 6-cyclopentyl-3-(fluoromethyl)-4-[(1Z)-penta-1,3-dienyl]-1H-pyridin-2-one (CID 176964774) is 6-cyclopentyl-3-(fluoromethyl)-4-[(1Z)-penta-1,3-dienyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-cyclopentyl-3-(fluoromethyl)-4-[(1Z)-penta-1,3-dienyl]-1H-pyridin-2-one?
The canonical SMILES for 6-cyclopentyl-3-(fluoromethyl)-4-[(1Z)-penta-1,3-dienyl]-1H-pyridin-2-one is CC=C/C=C\c1cc(C2CCCC2)[nH]c(=O)c1CF.
What is the InChIKey of 6-cyclopentyl-3-(fluoromethyl)-4-[(1Z)-penta-1,3-dienyl]-1H-pyridin-2-one?
The InChIKey is ZVBPCHUITWDOND-RJYPJRHFSA-N. The full InChI is InChI=1S/C16H20FNO/c1-2-3-4-9-13-10-15(12-7-5-6-8-12)18-16(19)14(13)11-17/h2-4,9-10,12H,5-8,11H2,1H3,(H,18,19)/b3-2?,9-4-.
What are the key properties of 6-cyclopentyl-3-(fluoromethyl)-4-[(1Z)-penta-1,3-dienyl]-1H-pyridin-2-one?
6-cyclopentyl-3-(fluoromethyl)-4-[(1Z)-penta-1,3-dienyl]-1H-pyridin-2-one has a molecular weight of 261.34 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-3-(fluoromethyl)-4-[(1Z)-penta-1,3-dienyl]-1H-pyridin-2-one is sourced from PubChem (CID 176964774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).