(3Z,4Z)-N-[2-[(E)-[1-(2,6-dioxopiperidin-3-yl)-4-methylidene-5-oxopyrrolidin-3-ylidene]methyl]prop-2-enyl]-2,2,6-trifluoro-3-(2,2,2-trifluoroethylidene)hepta-4,6-dienamide

C23H21F6N3O4 — CID 170311862

IUPAC(3Z,4Z)-N-[2-[(E)-[1-(2,6-dioxopiperidin-3-yl)-4-methylidene-5-oxopyrrolidin-3-ylidene]methyl]prop-2-enyl]-2,2,6-trifluoro-3-(2,2,2-trifluoroethylidene)hepta-4,6-dienamide
SMILESC=C(F)/C=C\C(=C\C(F)(F)F)C(F)(F)C(=O)NCC(=C)/C=C1/CN(C2CCC(=O)NC2=O)C(=O)C1=C
InChIInChI=1S/C23H21F6N3O4/c1-12(8-15-11-32(20(35)14(15)3)17-6-7-18(33)31-19(17)34)10-30-21(36)23(28,29)16(5-4-13(2)24)9-22(25,26)27/h4-5,8-9,17H,1-3,6-7,10-11H2,(H,30,36)(H,31,33,34)/b5-4-,15-8-,16-9-
InChIKeyZBASDEYDEOBQEN-XMXCZAIKSA-N
MW517.43 g/mol
LogP2.95
Rot. Bonds8

About (3Z,4Z)-N-[2-[(E)-[1-(2,6-dioxopiperidin-3-yl)-4-methylidene-5-oxopyrrolidin-3-ylidene]methyl]prop-2-enyl]-2,2,6-trifluoro-3-(2,2,2-trifluoroethylidene)hepta-4,6-dienamide

(3Z,4Z)-N-[2-[(E)-[1-(2,6-dioxopiperidin-3-yl)-4-methylidene-5-oxopyrrolidin-3-ylidene]methyl]prop-2-enyl]-2,2,6-trifluoro-3-(2,2,2-trifluoroethylidene)hepta-4,6-dienamide (PubChem CID 170311862) has the molecular formula C23H21F6N3O4 and a molecular weight of 517.43 g/mol. Its IUPAC name is (3Z,4Z)-N-[2-[(E)-[1-(2,6-dioxopiperidin-3-yl)-4-methylidene-5-oxopyrrolidin-3-ylidene]methyl]prop-2-enyl]-2,2,6-trifluoro-3-(2,2,2-trifluoroethylidene)hepta-4,6-dienamide.

Molecular Properties

Compound Name(3Z,4Z)-N-[2-[(E)-[1-(2,6-dioxopiperidin-3-yl)-4-methylidene-5-oxopyrrolidin-3-ylidene]methyl]prop-2-enyl]-2,2,6-trifluoro-3-(2,2,2-trifluoroethylidene)hepta-4,6-dienamide
PubChem CID170311862
Molecular FormulaC23H21F6N3O4
Molecular Weight517.43 g/mol
Exact Mass517.14
IUPAC Name(3Z,4Z)-N-[2-[(E)-[1-(2,6-dioxopiperidin-3-yl)-4-methylidene-5-oxopyrrolidin-3-ylidene]methyl]prop-2-enyl]-2,2,6-trifluoro-3-(2,2,2-trifluoroethylidene)hepta-4,6-dienamide
SMILESC=C(F)/C=C\C(=C\C(F)(F)F)C(F)(F)C(=O)NCC(=C)/C=C1/CN(C2CCC(=O)NC2=O)C(=O)C1=C
InChIInChI=1S/C23H21F6N3O4/c1-12(8-15-11-32(20(35)14(15)3)17-6-7-18(33)31-19(17)34)10-30-21(36)23(28,29)16(5-4-13(2)24)9-22(25,26)27/h4-5,8-9,17H,1-3,6-7,10-11H2,(H,30,36)(H,31,33,34)/b5-4-,15-8-,16-9-
InChIKeyZBASDEYDEOBQEN-XMXCZAIKSA-N
XLogP2.95
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.43
LogP ≤ 52.95
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,4Z)-N-[2-[(E)-[1-(2,6-dioxopiperidin-3-yl)-4-methylidene-5-oxopyrrolidin-3-ylidene]methyl]prop-2-enyl]-2,2,6-trifluoro-3-(2,2,2-trifluoroethylidene)hepta-4,6-dienamide with MolForge

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Related Compounds

N-[[3-fluoro-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 67889641
N-[(E,4E)-4-[1-(2,6-dioxopiperidin-3-yl)-2-oxopyrrolidin-3-ylidene]-2-ethenylbut-2-enyl]-2,2-difluoro-3-hydroxy-3-methylbutanamide
CID 118656665
7,7,7-trifluoro-6-methyl-2-methylidene-N-(2-oxopiperidin-3-yl)hepta-3,5-dienamide
CID 123266509
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-8H-cyclohepta[c]pyrrole-1,3-dione
CID 134581938
2-(2,6-Dioxopiperidin-3-yl)-5-fluoro-5,6-dihydroisoindole-1,3-dione
CID 134581950
3-[(3Z,4E)-3-(1-fluoroethylidene)-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione
CID 142616400
3-(2-fluorocyclohexa-1,5-dien-1-yl)-N-[(2R)-1-[(4E)-3-methylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]propan-2-yl]propanamide
CID 145077816
3-(2-fluorocyclohexa-1,5-dien-1-yl)-N-[(2S)-1-[(4E)-3-methylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]propan-2-yl]propanamide
CID 145077832
2-(2,6-Dioxopiperidin-3-yl)-4-fluoro-5,6-dihydroisoindole-1,3-dione
CID 145407549
(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)-4-[(E)-but-2-enylidene]-3-(2-fluoroprop-2-enylidene)-2-oxopyrrolidin-1-yl]-2,6-dioxopiperidin-1-yl]methyl N-ethylcarbamate
CID 155331461
2-(2,6-Dioxopiperidin-3-yl)-7-fluoro-5,5-dimethylcyclohepta[c]pyrrole-1,3-dione
CID 155357553

Frequently Asked Questions

What is the IUPAC name of (3Z,4Z)-N-[2-[(E)-[1-(2,6-dioxopiperidin-3-yl)-4-methylidene-5-oxopyrrolidin-3-ylidene]methyl]prop-2-enyl]-2,2,6-trifluoro-3-(2,2,2-trifluoroethylidene)hepta-4,6-dienamide?
The IUPAC name of (3Z,4Z)-N-[2-[(E)-[1-(2,6-dioxopiperidin-3-yl)-4-methylidene-5-oxopyrrolidin-3-ylidene]methyl]prop-2-enyl]-2,2,6-trifluoro-3-(2,2,2-trifluoroethylidene)hepta-4,6-dienamide (CID 170311862) is (3Z,4Z)-N-[2-[(E)-[1-(2,6-dioxopiperidin-3-yl)-4-methylidene-5-oxopyrrolidin-3-ylidene]methyl]prop-2-enyl]-2,2,6-trifluoro-3-(2,2,2-trifluoroethylidene)hepta-4,6-dienamide.
What is the SMILES notation for (3Z,4Z)-N-[2-[(E)-[1-(2,6-dioxopiperidin-3-yl)-4-methylidene-5-oxopyrrolidin-3-ylidene]methyl]prop-2-enyl]-2,2,6-trifluoro-3-(2,2,2-trifluoroethylidene)hepta-4,6-dienamide?
The canonical SMILES for (3Z,4Z)-N-[2-[(E)-[1-(2,6-dioxopiperidin-3-yl)-4-methylidene-5-oxopyrrolidin-3-ylidene]methyl]prop-2-enyl]-2,2,6-trifluoro-3-(2,2,2-trifluoroethylidene)hepta-4,6-dienamide is C=C(F)/C=C\C(=C\C(F)(F)F)C(F)(F)C(=O)NCC(=C)/C=C1/CN(C2CCC(=O)NC2=O)C(=O)C1=C.
What is the InChIKey of (3Z,4Z)-N-[2-[(E)-[1-(2,6-dioxopiperidin-3-yl)-4-methylidene-5-oxopyrrolidin-3-ylidene]methyl]prop-2-enyl]-2,2,6-trifluoro-3-(2,2,2-trifluoroethylidene)hepta-4,6-dienamide?
The InChIKey is ZBASDEYDEOBQEN-XMXCZAIKSA-N. The full InChI is InChI=1S/C23H21F6N3O4/c1-12(8-15-11-32(20(35)14(15)3)17-6-7-18(33)31-19(17)34)10-30-21(36)23(28,29)16(5-4-13(2)24)9-22(25,26)27/h4-5,8-9,17H,1-3,6-7,10-11H2,(H,30,36)(H,31,33,34)/b5-4-,15-8-,16-9-.
What are the key properties of (3Z,4Z)-N-[2-[(E)-[1-(2,6-dioxopiperidin-3-yl)-4-methylidene-5-oxopyrrolidin-3-ylidene]methyl]prop-2-enyl]-2,2,6-trifluoro-3-(2,2,2-trifluoroethylidene)hepta-4,6-dienamide?
(3Z,4Z)-N-[2-[(E)-[1-(2,6-dioxopiperidin-3-yl)-4-methylidene-5-oxopyrrolidin-3-ylidene]methyl]prop-2-enyl]-2,2,6-trifluoro-3-(2,2,2-trifluoroethylidene)hepta-4,6-dienamide has a molecular weight of 517.43 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z)-N-[2-[(E)-[1-(2,6-dioxopiperidin-3-yl)-4-methylidene-5-oxopyrrolidin-3-ylidene]methyl]prop-2-enyl]-2,2,6-trifluoro-3-(2,2,2-trifluoroethylidene)hepta-4,6-dienamide is sourced from PubChem (CID 170311862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).