(3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1-piperidin-3-ylpyrrolidin-2-one

C14H19FN2O — CID 144767550

IUPAC(3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1-piperidin-3-ylpyrrolidin-2-one
SMILESC=C1CN(C2CCCNC2)C(=O)/C1=C/C(F)=C\C
InChIInChI=1S/C14H19FN2O/c1-3-11(15)7-13-10(2)9-17(14(13)18)12-5-4-6-16-8-12/h3,7,12,16H,2,4-6,8-9H2,1H3/b11-3+,13-7+
InChIKeyAOYMGXAZFDNGRJ-QGTBJFKBSA-N
MW250.32 g/mol
LogP1.94
Rot. Bonds2

About (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1-piperidin-3-ylpyrrolidin-2-one

(3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1-piperidin-3-ylpyrrolidin-2-one (PubChem CID 144767550) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1-piperidin-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1-piperidin-3-ylpyrrolidin-2-one
PubChem CID144767550
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name(3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1-piperidin-3-ylpyrrolidin-2-one
SMILESC=C1CN(C2CCCNC2)C(=O)/C1=C/C(F)=C\C
InChIInChI=1S/C14H19FN2O/c1-3-11(15)7-13-10(2)9-17(14(13)18)12-5-4-6-16-8-12/h3,7,12,16H,2,4-6,8-9H2,1H3/b11-3+,13-7+
InChIKeyAOYMGXAZFDNGRJ-QGTBJFKBSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1-piperidin-3-ylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1-piperidin-3-ylpyrrolidin-2-one?
The IUPAC name of (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1-piperidin-3-ylpyrrolidin-2-one (CID 144767550) is (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1-piperidin-3-ylpyrrolidin-2-one.
What is the SMILES notation for (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1-piperidin-3-ylpyrrolidin-2-one?
The canonical SMILES for (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1-piperidin-3-ylpyrrolidin-2-one is C=C1CN(C2CCCNC2)C(=O)/C1=C/C(F)=C\C.
What is the InChIKey of (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1-piperidin-3-ylpyrrolidin-2-one?
The InChIKey is AOYMGXAZFDNGRJ-QGTBJFKBSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-3-11(15)7-13-10(2)9-17(14(13)18)12-5-4-6-16-8-12/h3,7,12,16H,2,4-6,8-9H2,1H3/b11-3+,13-7+.
What are the key properties of (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1-piperidin-3-ylpyrrolidin-2-one?
(3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1-piperidin-3-ylpyrrolidin-2-one has a molecular weight of 250.32 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1-piperidin-3-ylpyrrolidin-2-one is sourced from PubChem (CID 144767550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).