(Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2,7-trifluoro-7-methyl-3,6-dimethylideneoct-4-enamide

C25H28F3N3O4 — CID 170312456

IUPAC(Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2,7-trifluoro-7-methyl-3,6-dimethylideneoct-4-enamide
SMILESC=C(/C=C\C1=CCN(C2CCC(=O)NC2=O)C1=O)CNC(=O)C(F)(F)C(=C)/C=C\C(=C)C(C)(C)F
InChIInChI=1S/C25H28F3N3O4/c1-15(14-29-23(35)25(27,28)17(3)8-7-16(2)24(4,5)26)6-9-18-12-13-31(22(18)34)19-10-11-20(32)30-21(19)33/h6-9,12,19H,1-3,10-11,13-14H2,4-5H3,(H,29,35)(H,30,32,33)/b8-7-,9-6-
InChIKeyIMTOREJLXOXJLL-QOCNPQIPSA-N
MW491.51 g/mol
LogP2.84
Rot. Bonds10

About (Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2,7-trifluoro-7-methyl-3,6-dimethylideneoct-4-enamide

(Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2,7-trifluoro-7-methyl-3,6-dimethylideneoct-4-enamide (PubChem CID 170312456) has the molecular formula C25H28F3N3O4 and a molecular weight of 491.51 g/mol. Its IUPAC name is (Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2,7-trifluoro-7-methyl-3,6-dimethylideneoct-4-enamide.

Molecular Properties

Compound Name(Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2,7-trifluoro-7-methyl-3,6-dimethylideneoct-4-enamide
PubChem CID170312456
Molecular FormulaC25H28F3N3O4
Molecular Weight491.51 g/mol
Exact Mass491.20
IUPAC Name(Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2,7-trifluoro-7-methyl-3,6-dimethylideneoct-4-enamide
SMILESC=C(/C=C\C1=CCN(C2CCC(=O)NC2=O)C1=O)CNC(=O)C(F)(F)C(=C)/C=C\C(=C)C(C)(C)F
InChIInChI=1S/C25H28F3N3O4/c1-15(14-29-23(35)25(27,28)17(3)8-7-16(2)24(4,5)26)6-9-18-12-13-31(22(18)34)19-10-11-20(32)30-21(19)33/h6-9,12,19H,1-3,10-11,13-14H2,4-5H3,(H,29,35)(H,30,32,33)/b8-7-,9-6-
InChIKeyIMTOREJLXOXJLL-QOCNPQIPSA-N
XLogP2.84
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.51
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2,7-trifluoro-7-methyl-3,6-dimethylideneoct-4-enamide with MolForge

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Related Compounds

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
3-(4-ethenyl-5-oxo-3-prop-1-en-2-yl-2H-pyrrol-1-yl)-3-fluoropiperidine-2,6-dione
CID 142305948
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
(2Z,3E)-N-(2,6-dioxopiperidin-3-yl)-2-(1-fluoroethylidene)-3-formyl-N-methylhexa-3,5-dienamide
CID 142616415
3-[3-Ethenyl-4-(1-fluoroethenyl)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 142616667
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
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)-7-fluoro-4,5-dihydroisoindole-1,3-dione
CID 147507530

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2,7-trifluoro-7-methyl-3,6-dimethylideneoct-4-enamide?
The IUPAC name of (Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2,7-trifluoro-7-methyl-3,6-dimethylideneoct-4-enamide (CID 170312456) is (Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2,7-trifluoro-7-methyl-3,6-dimethylideneoct-4-enamide.
What is the SMILES notation for (Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2,7-trifluoro-7-methyl-3,6-dimethylideneoct-4-enamide?
The canonical SMILES for (Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2,7-trifluoro-7-methyl-3,6-dimethylideneoct-4-enamide is C=C(/C=C\C1=CCN(C2CCC(=O)NC2=O)C1=O)CNC(=O)C(F)(F)C(=C)/C=C\C(=C)C(C)(C)F.
What is the InChIKey of (Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2,7-trifluoro-7-methyl-3,6-dimethylideneoct-4-enamide?
The InChIKey is IMTOREJLXOXJLL-QOCNPQIPSA-N. The full InChI is InChI=1S/C25H28F3N3O4/c1-15(14-29-23(35)25(27,28)17(3)8-7-16(2)24(4,5)26)6-9-18-12-13-31(22(18)34)19-10-11-20(32)30-21(19)33/h6-9,12,19H,1-3,10-11,13-14H2,4-5H3,(H,29,35)(H,30,32,33)/b8-7-,9-6-.
What are the key properties of (Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2,7-trifluoro-7-methyl-3,6-dimethylideneoct-4-enamide?
(Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2,7-trifluoro-7-methyl-3,6-dimethylideneoct-4-enamide has a molecular weight of 491.51 g/mol, XLogP of 2.84, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2,7-trifluoro-7-methyl-3,6-dimethylideneoct-4-enamide is sourced from PubChem (CID 170312456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).