4-ethenyl-1,3-diethyl-5-(1-fluoroethenyl)-3-methylpyrrol-2-one

C13H18FNO — CID 176568211

IUPAC4-ethenyl-1,3-diethyl-5-(1-fluoroethenyl)-3-methylpyrrol-2-one
SMILESC=CC1=C(C(=C)F)N(CC)C(=O)C1(C)CC
InChIInChI=1S/C13H18FNO/c1-6-10-11(9(4)14)15(8-3)12(16)13(10,5)7-2/h6H,1,4,7-8H2,2-3,5H3
InChIKeyAAAGTNBFADCVOF-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.19
Rot. Bonds4

About 4-ethenyl-1,3-diethyl-5-(1-fluoroethenyl)-3-methylpyrrol-2-one

4-ethenyl-1,3-diethyl-5-(1-fluoroethenyl)-3-methylpyrrol-2-one (PubChem CID 176568211) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-ethenyl-1,3-diethyl-5-(1-fluoroethenyl)-3-methylpyrrol-2-one.

Molecular Properties

Compound Name4-ethenyl-1,3-diethyl-5-(1-fluoroethenyl)-3-methylpyrrol-2-one
PubChem CID176568211
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-ethenyl-1,3-diethyl-5-(1-fluoroethenyl)-3-methylpyrrol-2-one
SMILESC=CC1=C(C(=C)F)N(CC)C(=O)C1(C)CC
InChIInChI=1S/C13H18FNO/c1-6-10-11(9(4)14)15(8-3)12(16)13(10,5)7-2/h6H,1,4,7-8H2,2-3,5H3
InChIKeyAAAGTNBFADCVOF-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1,3-diethyl-5-(1-fluoroethenyl)-3-methylpyrrol-2-one?
The IUPAC name of 4-ethenyl-1,3-diethyl-5-(1-fluoroethenyl)-3-methylpyrrol-2-one (CID 176568211) is 4-ethenyl-1,3-diethyl-5-(1-fluoroethenyl)-3-methylpyrrol-2-one.
What is the SMILES notation for 4-ethenyl-1,3-diethyl-5-(1-fluoroethenyl)-3-methylpyrrol-2-one?
The canonical SMILES for 4-ethenyl-1,3-diethyl-5-(1-fluoroethenyl)-3-methylpyrrol-2-one is C=CC1=C(C(=C)F)N(CC)C(=O)C1(C)CC.
What is the InChIKey of 4-ethenyl-1,3-diethyl-5-(1-fluoroethenyl)-3-methylpyrrol-2-one?
The InChIKey is AAAGTNBFADCVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-6-10-11(9(4)14)15(8-3)12(16)13(10,5)7-2/h6H,1,4,7-8H2,2-3,5H3.
What are the key properties of 4-ethenyl-1,3-diethyl-5-(1-fluoroethenyl)-3-methylpyrrol-2-one?
4-ethenyl-1,3-diethyl-5-(1-fluoroethenyl)-3-methylpyrrol-2-one has a molecular weight of 223.29 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1,3-diethyl-5-(1-fluoroethenyl)-3-methylpyrrol-2-one is sourced from PubChem (CID 176568211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).