4-(2-fluorobut-2-enylidene)-5-methyl-3-methylidenepyrrolidin-2-one

C10H12FNO — CID 91323524

IUPAC4-(2-fluorobut-2-enylidene)-5-methyl-3-methylidenepyrrolidin-2-one
SMILESC=C1C(=O)NC(C)C1=CC(F)=CC
InChIInChI=1S/C10H12FNO/c1-4-8(11)5-9-6(2)10(13)12-7(9)3/h4-5,7H,2H2,1,3H3,(H,12,13)
InChIKeyPKZDIVQQPGNLIO-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.86
Rot. Bonds1

About 4-(2-fluorobut-2-enylidene)-5-methyl-3-methylidenepyrrolidin-2-one

4-(2-fluorobut-2-enylidene)-5-methyl-3-methylidenepyrrolidin-2-one (PubChem CID 91323524) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 4-(2-fluorobut-2-enylidene)-5-methyl-3-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-fluorobut-2-enylidene)-5-methyl-3-methylidenepyrrolidin-2-one
PubChem CID91323524
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name4-(2-fluorobut-2-enylidene)-5-methyl-3-methylidenepyrrolidin-2-one
SMILESC=C1C(=O)NC(C)C1=CC(F)=CC
InChIInChI=1S/C10H12FNO/c1-4-8(11)5-9-6(2)10(13)12-7(9)3/h4-5,7H,2H2,1,3H3,(H,12,13)
InChIKeyPKZDIVQQPGNLIO-UHFFFAOYSA-N
XLogP1.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorobut-2-enylidene)-5-methyl-3-methylidenepyrrolidin-2-one?
The IUPAC name of 4-(2-fluorobut-2-enylidene)-5-methyl-3-methylidenepyrrolidin-2-one (CID 91323524) is 4-(2-fluorobut-2-enylidene)-5-methyl-3-methylidenepyrrolidin-2-one.
What is the SMILES notation for 4-(2-fluorobut-2-enylidene)-5-methyl-3-methylidenepyrrolidin-2-one?
The canonical SMILES for 4-(2-fluorobut-2-enylidene)-5-methyl-3-methylidenepyrrolidin-2-one is C=C1C(=O)NC(C)C1=CC(F)=CC.
What is the InChIKey of 4-(2-fluorobut-2-enylidene)-5-methyl-3-methylidenepyrrolidin-2-one?
The InChIKey is PKZDIVQQPGNLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-4-8(11)5-9-6(2)10(13)12-7(9)3/h4-5,7H,2H2,1,3H3,(H,12,13).
What are the key properties of 4-(2-fluorobut-2-enylidene)-5-methyl-3-methylidenepyrrolidin-2-one?
4-(2-fluorobut-2-enylidene)-5-methyl-3-methylidenepyrrolidin-2-one has a molecular weight of 181.21 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorobut-2-enylidene)-5-methyl-3-methylidenepyrrolidin-2-one is sourced from PubChem (CID 91323524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).