3-ethenyl-N-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-N,4-dimethyl-2-propan-2-ylidenepent-3-enamide

C19H26FNO — CID 166126655

IUPAC3-ethenyl-N-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-N,4-dimethyl-2-propan-2-ylidenepent-3-enamide
SMILESC=C/C=C\C(F)=C(/C)N(C)C(=O)C(=C(C)C)C(C=C)=C(C)C
InChIInChI=1S/C19H26FNO/c1-9-11-12-17(20)15(7)21(8)19(22)18(14(5)6)16(10-2)13(3)4/h9-12H,1-2H2,3-8H3/b12-11-,17-15-
InChIKeyYLXPYVKTNCUWJI-MMHKUDGTSA-N
MW303.42 g/mol
LogP5.25
Rot. Bonds6

About 3-ethenyl-N-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-N,4-dimethyl-2-propan-2-ylidenepent-3-enamide

3-ethenyl-N-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-N,4-dimethyl-2-propan-2-ylidenepent-3-enamide (PubChem CID 166126655) has the molecular formula C19H26FNO and a molecular weight of 303.42 g/mol. Its IUPAC name is 3-ethenyl-N-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-N,4-dimethyl-2-propan-2-ylidenepent-3-enamide.

Molecular Properties

Compound Name3-ethenyl-N-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-N,4-dimethyl-2-propan-2-ylidenepent-3-enamide
PubChem CID166126655
Molecular FormulaC19H26FNO
Molecular Weight303.42 g/mol
Exact Mass303.20
IUPAC Name3-ethenyl-N-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-N,4-dimethyl-2-propan-2-ylidenepent-3-enamide
SMILESC=C/C=C\C(F)=C(/C)N(C)C(=O)C(=C(C)C)C(C=C)=C(C)C
InChIInChI=1S/C19H26FNO/c1-9-11-12-17(20)15(7)21(8)19(22)18(14(5)6)16(10-2)13(3)4/h9-12H,1-2H2,3-8H3/b12-11-,17-15-
InChIKeyYLXPYVKTNCUWJI-MMHKUDGTSA-N
XLogP5.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.42
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethenyl-N-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-N,4-dimethyl-2-propan-2-ylidenepent-3-enamide with MolForge

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Launch Full Analysis

Related Compounds

(6E)-6-[(E)-2-fluoropent-2-enylidene]-5-methylidene-1-propylpyridin-2-one
CID 71032511
3-Ethyl-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
CID 134419157
(2E,4E)-N-(2-fluoroethyl)-N,5,6-trimethyl-2-prop-2-enylhepta-2,4-dienamide
CID 142308954
5-[(1Z)-3-(fluoromethyl)buta-1,3-dienyl]-1,6-dimethyl-3,4-dihydropyridin-2-one
CID 143273338
4-[(1Z)-1-[[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-methylamino]-3-(trifluoromethyl)buta-1,3-dienyl]-N,N-dimethylcyclohepta-1,3,6-triene-1-carboxamide
CID 143533929
(Z)-N-[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]-N-methylpent-2-enamide
CID 143577542
6-ethyl-1-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]-3-methylpyridin-2-one
CID 143818445
Ethane;5-ethenyl-3,3-difluoro-1-methyl-4-prop-1-en-2-ylpyrrol-2-one
CID 145414209
4-(1,1-Difluoroethyl)-1,6-dimethyl-3-propan-2-ylpyridin-2-one
CID 145615182
3-But-3-en-2-yl-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
CID 145615234
4,5-Bis(ethenyl)-3,3-difluoro-1-methylpyrrol-2-one
CID 145617019
6-Fluoro-2-methyl-1-propan-2-ylisoquinolin-3-one
CID 146498738

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-N-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-N,4-dimethyl-2-propan-2-ylidenepent-3-enamide?
The IUPAC name of 3-ethenyl-N-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-N,4-dimethyl-2-propan-2-ylidenepent-3-enamide (CID 166126655) is 3-ethenyl-N-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-N,4-dimethyl-2-propan-2-ylidenepent-3-enamide.
What is the SMILES notation for 3-ethenyl-N-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-N,4-dimethyl-2-propan-2-ylidenepent-3-enamide?
The canonical SMILES for 3-ethenyl-N-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-N,4-dimethyl-2-propan-2-ylidenepent-3-enamide is C=C/C=C\C(F)=C(/C)N(C)C(=O)C(=C(C)C)C(C=C)=C(C)C.
What is the InChIKey of 3-ethenyl-N-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-N,4-dimethyl-2-propan-2-ylidenepent-3-enamide?
The InChIKey is YLXPYVKTNCUWJI-MMHKUDGTSA-N. The full InChI is InChI=1S/C19H26FNO/c1-9-11-12-17(20)15(7)21(8)19(22)18(14(5)6)16(10-2)13(3)4/h9-12H,1-2H2,3-8H3/b12-11-,17-15-.
What are the key properties of 3-ethenyl-N-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-N,4-dimethyl-2-propan-2-ylidenepent-3-enamide?
3-ethenyl-N-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-N,4-dimethyl-2-propan-2-ylidenepent-3-enamide has a molecular weight of 303.42 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-N-[(2Z,4Z)-3-fluorohepta-2,4,6-trien-2-yl]-N,4-dimethyl-2-propan-2-ylidenepent-3-enamide is sourced from PubChem (CID 166126655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).