3-[(3Z)-3-[(E)-1-fluoro-3-piperidin-2-ylbut-2-enylidene]-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione

C19H24FN3O3 — CID 174263140

IUPAC3-[(3Z)-3-[(E)-1-fluoro-3-piperidin-2-ylbut-2-enylidene]-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione
SMILESC=C1CN(C2CCC(=O)NC2=O)C(=O)/C1=C(F)/C=C(\C)C1CCCCN1
InChIInChI=1S/C19H24FN3O3/c1-11(14-5-3-4-8-21-14)9-13(20)17-12(2)10-23(19(17)26)15-6-7-16(24)22-18(15)25/h9,14-15,21H,2-8,10H2,1H3,(H,22,24,25)/b11-9+,17-13-
InChIKeyMKBHNKIXULJJRQ-YEXUMRHMSA-N
MW361.42 g/mol
LogP1.50
Rot. Bonds3

About 3-[(3Z)-3-[(E)-1-fluoro-3-piperidin-2-ylbut-2-enylidene]-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione

3-[(3Z)-3-[(E)-1-fluoro-3-piperidin-2-ylbut-2-enylidene]-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione (PubChem CID 174263140) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is 3-[(3Z)-3-[(E)-1-fluoro-3-piperidin-2-ylbut-2-enylidene]-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(3Z)-3-[(E)-1-fluoro-3-piperidin-2-ylbut-2-enylidene]-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione
PubChem CID174263140
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name3-[(3Z)-3-[(E)-1-fluoro-3-piperidin-2-ylbut-2-enylidene]-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione
SMILESC=C1CN(C2CCC(=O)NC2=O)C(=O)/C1=C(F)/C=C(\C)C1CCCCN1
InChIInChI=1S/C19H24FN3O3/c1-11(14-5-3-4-8-21-14)9-13(20)17-12(2)10-23(19(17)26)15-6-7-16(24)22-18(15)25/h9,14-15,21H,2-8,10H2,1H3,(H,22,24,25)/b11-9+,17-13-
InChIKeyMKBHNKIXULJJRQ-YEXUMRHMSA-N
XLogP1.50
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(Z)-but-2-en-2-yl]-4-ethenyl-5-oxo-2H-pyrrol-1-yl]-3-fluoropiperidine-2,6-dione
CID 145382042
2-(2,6-Dioxopiperidin-3-yl)-4-fluoro-5,6-dihydroisoindole-1,3-dione
CID 145407549
2-(2,6-Dioxopiperidin-3-yl)-7-fluoro-4,5-dihydroisoindole-1,3-dione
CID 147507530
(3S)-3-[(4Z)-4-[(E)-1-amino-3-fluorobut-2-enylidene]-3-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione
CID 154980430
3-[(3E,4E)-3-ethylidene-4-(2-fluoroprop-2-enylidene)-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 155357898
3-[3-[(1Z)-3-fluorobuta-1,3-dienyl]-4-methyl-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 155468820
(3E,4Z)-3-ethylidene-4-(1-fluoropropylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione
CID 163267951
2-(2,6-Dioxopiperidin-3-yl)-4-fluoro-4,5-dihydroisoindole-1,3-dione
CID 163573302
3-[(3Z)-3-[(Z)-1-fluorobut-2-enylidene]-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione
CID 166105806

Frequently Asked Questions

What is the IUPAC name of 3-[(3Z)-3-[(E)-1-fluoro-3-piperidin-2-ylbut-2-enylidene]-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[(3Z)-3-[(E)-1-fluoro-3-piperidin-2-ylbut-2-enylidene]-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione (CID 174263140) is 3-[(3Z)-3-[(E)-1-fluoro-3-piperidin-2-ylbut-2-enylidene]-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(3Z)-3-[(E)-1-fluoro-3-piperidin-2-ylbut-2-enylidene]-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[(3Z)-3-[(E)-1-fluoro-3-piperidin-2-ylbut-2-enylidene]-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione is C=C1CN(C2CCC(=O)NC2=O)C(=O)/C1=C(F)/C=C(\C)C1CCCCN1.
What is the InChIKey of 3-[(3Z)-3-[(E)-1-fluoro-3-piperidin-2-ylbut-2-enylidene]-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione?
The InChIKey is MKBHNKIXULJJRQ-YEXUMRHMSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-11(14-5-3-4-8-21-14)9-13(20)17-12(2)10-23(19(17)26)15-6-7-16(24)22-18(15)25/h9,14-15,21H,2-8,10H2,1H3,(H,22,24,25)/b11-9+,17-13-.
What are the key properties of 3-[(3Z)-3-[(E)-1-fluoro-3-piperidin-2-ylbut-2-enylidene]-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione?
3-[(3Z)-3-[(E)-1-fluoro-3-piperidin-2-ylbut-2-enylidene]-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione has a molecular weight of 361.42 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3Z)-3-[(E)-1-fluoro-3-piperidin-2-ylbut-2-enylidene]-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 174263140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).