6-cyclopentyl-3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-1H-pyridin-2-one

C15H18FNO — CID 176964441

IUPAC6-cyclopentyl-3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-1H-pyridin-2-one
SMILESC=C(F)c1c(/C=C\C)cc(C2CCCC2)[nH]c1=O
InChIInChI=1S/C15H18FNO/c1-3-6-12-9-13(11-7-4-5-8-11)17-15(18)14(12)10(2)16/h3,6,9,11H,2,4-5,7-8H2,1H3,(H,17,18)/b6-3-
InChIKeyMQBMOXUNWNJSTE-UTCJRWHESA-N
MW247.31 g/mol
LogP4.01
Rot. Bonds3

About 6-cyclopentyl-3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-1H-pyridin-2-one

6-cyclopentyl-3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-1H-pyridin-2-one (PubChem CID 176964441) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 6-cyclopentyl-3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-cyclopentyl-3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-1H-pyridin-2-one
PubChem CID176964441
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name6-cyclopentyl-3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-1H-pyridin-2-one
SMILESC=C(F)c1c(/C=C\C)cc(C2CCCC2)[nH]c1=O
InChIInChI=1S/C15H18FNO/c1-3-6-12-9-13(11-7-4-5-8-11)17-15(18)14(12)10(2)16/h3,6,9,11H,2,4-5,7-8H2,1H3,(H,17,18)/b6-3-
InChIKeyMQBMOXUNWNJSTE-UTCJRWHESA-N
XLogP4.01
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-1H-pyridin-2-one?
The IUPAC name of 6-cyclopentyl-3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-1H-pyridin-2-one (CID 176964441) is 6-cyclopentyl-3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-cyclopentyl-3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-1H-pyridin-2-one?
The canonical SMILES for 6-cyclopentyl-3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-1H-pyridin-2-one is C=C(F)c1c(/C=C\C)cc(C2CCCC2)[nH]c1=O.
What is the InChIKey of 6-cyclopentyl-3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-1H-pyridin-2-one?
The InChIKey is MQBMOXUNWNJSTE-UTCJRWHESA-N. The full InChI is InChI=1S/C15H18FNO/c1-3-6-12-9-13(11-7-4-5-8-11)17-15(18)14(12)10(2)16/h3,6,9,11H,2,4-5,7-8H2,1H3,(H,17,18)/b6-3-.
What are the key properties of 6-cyclopentyl-3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-1H-pyridin-2-one?
6-cyclopentyl-3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-1H-pyridin-2-one has a molecular weight of 247.31 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-3-(1-fluoroethenyl)-4-[(Z)-prop-1-enyl]-1H-pyridin-2-one is sourced from PubChem (CID 176964441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).