3-[(4Z)-4-(fluoromethylidene)-3-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione

C11H11FN2O3 — CID 153392074

IUPAC3-[(4Z)-4-(fluoromethylidene)-3-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione
SMILESC=C1C(=O)N(C2CCC(=O)NC2=O)C/C1=C\F
InChIInChI=1S/C11H11FN2O3/c1-6-7(4-12)5-14(11(6)17)8-2-3-9(15)13-10(8)16/h4,8H,1-3,5H2,(H,13,15,16)/b7-4+
InChIKeyCNXAMSSQPIFZQZ-QPJJXVBHSA-N
MW238.22 g/mol
LogP0.04
Rot. Bonds1

About 3-[(4Z)-4-(fluoromethylidene)-3-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione

3-[(4Z)-4-(fluoromethylidene)-3-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione (PubChem CID 153392074) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is 3-[(4Z)-4-(fluoromethylidene)-3-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(4Z)-4-(fluoromethylidene)-3-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione
PubChem CID153392074
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name3-[(4Z)-4-(fluoromethylidene)-3-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione
SMILESC=C1C(=O)N(C2CCC(=O)NC2=O)C/C1=C\F
InChIInChI=1S/C11H11FN2O3/c1-6-7(4-12)5-14(11(6)17)8-2-3-9(15)13-10(8)16/h4,8H,1-3,5H2,(H,13,15,16)/b7-4+
InChIKeyCNXAMSSQPIFZQZ-QPJJXVBHSA-N
XLogP0.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-Dioxopiperidin-3-yl)-5-fluoro-5,6-dihydroisoindole-1,3-dione
CID 134581950
3-[3-[(Z)-but-2-en-2-yl]-4-(1-fluoroethenyl)-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 142305955
3-[(3Z,4E)-3-(1-fluoroethylidene)-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione
CID 142616400
3-[3-Ethenyl-4-(1-fluoroethenyl)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 142616667
2-(2,6-Dioxopiperidin-3-yl)-4-fluoro-5,6-dihydroisoindole-1,3-dione
CID 145407549
3-[[(2Z)-2-(fluoromethylidene)butyl]amino]piperidine-2,6-dione
CID 147501193
[(2,6-Dioxopiperidin-3-yl)-(2-methylprop-2-enoyl)amino]methyl hypofluorite
CID 154957631
(3S)-3-[(4Z)-4-[(E)-1-amino-3-fluorobut-2-enylidene]-3-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione
CID 154980430
N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3-methyl-2-methylidenebutanamide
CID 155036890
3-[(3E,4E)-3-ethylidene-4-(2-fluoroprop-2-enylidene)-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 155357898
3-[(3Z)-3-(1-fluoroprop-2-enylidene)-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 155751620
3-[5-oxo-4-[(1E)-2-(trifluoromethyl)buta-1,3-dienyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 156793781

Frequently Asked Questions

What is the IUPAC name of 3-[(4Z)-4-(fluoromethylidene)-3-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[(4Z)-4-(fluoromethylidene)-3-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione (CID 153392074) is 3-[(4Z)-4-(fluoromethylidene)-3-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(4Z)-4-(fluoromethylidene)-3-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[(4Z)-4-(fluoromethylidene)-3-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione is C=C1C(=O)N(C2CCC(=O)NC2=O)C/C1=C\F.
What is the InChIKey of 3-[(4Z)-4-(fluoromethylidene)-3-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione?
The InChIKey is CNXAMSSQPIFZQZ-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H11FN2O3/c1-6-7(4-12)5-14(11(6)17)8-2-3-9(15)13-10(8)16/h4,8H,1-3,5H2,(H,13,15,16)/b7-4+.
What are the key properties of 3-[(4Z)-4-(fluoromethylidene)-3-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione?
3-[(4Z)-4-(fluoromethylidene)-3-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione has a molecular weight of 238.22 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4Z)-4-(fluoromethylidene)-3-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 153392074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).