(2Z,4E)-N-[2-(dimethylamino)-2-oxoethyl]-2-[(E)-1-fluoroprop-1-enyl]hexa-2,4-dienamide

C13H19FN2O2 — CID 88889308

IUPAC(2Z,4E)-N-[2-(dimethylamino)-2-oxoethyl]-2-[(E)-1-fluoroprop-1-enyl]hexa-2,4-dienamide
SMILESC/C=C/C=C(C(=O)NCC(=O)N(C)C)\C(F)=C/C
InChIInChI=1S/C13H19FN2O2/c1-5-7-8-10(11(14)6-2)13(18)15-9-12(17)16(3)4/h5-8H,9H2,1-4H3,(H,15,18)/b7-5+,10-8+,11-6+
InChIKeyRJOOHXWGGBSTGC-FVPVPMMFSA-N
MW254.31 g/mol
LogP1.57
Rot. Bonds5

About (2Z,4E)-N-[2-(dimethylamino)-2-oxoethyl]-2-[(E)-1-fluoroprop-1-enyl]hexa-2,4-dienamide

(2Z,4E)-N-[2-(dimethylamino)-2-oxoethyl]-2-[(E)-1-fluoroprop-1-enyl]hexa-2,4-dienamide (PubChem CID 88889308) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is (2Z,4E)-N-[2-(dimethylamino)-2-oxoethyl]-2-[(E)-1-fluoroprop-1-enyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4E)-N-[2-(dimethylamino)-2-oxoethyl]-2-[(E)-1-fluoroprop-1-enyl]hexa-2,4-dienamide
PubChem CID88889308
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Name(2Z,4E)-N-[2-(dimethylamino)-2-oxoethyl]-2-[(E)-1-fluoroprop-1-enyl]hexa-2,4-dienamide
SMILESC/C=C/C=C(C(=O)NCC(=O)N(C)C)\C(F)=C/C
InChIInChI=1S/C13H19FN2O2/c1-5-7-8-10(11(14)6-2)13(18)15-9-12(17)16(3)4/h5-8H,9H2,1-4H3,(H,15,18)/b7-5+,10-8+,11-6+
InChIKeyRJOOHXWGGBSTGC-FVPVPMMFSA-N
XLogP1.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-[2-(dimethylamino)-2-oxoethyl]-2-[(E)-1-fluoroprop-1-enyl]hexa-2,4-dienamide?
The IUPAC name of (2Z,4E)-N-[2-(dimethylamino)-2-oxoethyl]-2-[(E)-1-fluoroprop-1-enyl]hexa-2,4-dienamide (CID 88889308) is (2Z,4E)-N-[2-(dimethylamino)-2-oxoethyl]-2-[(E)-1-fluoroprop-1-enyl]hexa-2,4-dienamide.
What is the SMILES notation for (2Z,4E)-N-[2-(dimethylamino)-2-oxoethyl]-2-[(E)-1-fluoroprop-1-enyl]hexa-2,4-dienamide?
The canonical SMILES for (2Z,4E)-N-[2-(dimethylamino)-2-oxoethyl]-2-[(E)-1-fluoroprop-1-enyl]hexa-2,4-dienamide is C/C=C/C=C(C(=O)NCC(=O)N(C)C)\C(F)=C/C.
What is the InChIKey of (2Z,4E)-N-[2-(dimethylamino)-2-oxoethyl]-2-[(E)-1-fluoroprop-1-enyl]hexa-2,4-dienamide?
The InChIKey is RJOOHXWGGBSTGC-FVPVPMMFSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-5-7-8-10(11(14)6-2)13(18)15-9-12(17)16(3)4/h5-8H,9H2,1-4H3,(H,15,18)/b7-5+,10-8+,11-6+.
What are the key properties of (2Z,4E)-N-[2-(dimethylamino)-2-oxoethyl]-2-[(E)-1-fluoroprop-1-enyl]hexa-2,4-dienamide?
(2Z,4E)-N-[2-(dimethylamino)-2-oxoethyl]-2-[(E)-1-fluoroprop-1-enyl]hexa-2,4-dienamide has a molecular weight of 254.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-[2-(dimethylamino)-2-oxoethyl]-2-[(E)-1-fluoroprop-1-enyl]hexa-2,4-dienamide is sourced from PubChem (CID 88889308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).