(Z)-3-acetamido-2-[[methyl(3,3,3-trifluoroprop-1-en-2-yl)amino]methyl]prop-2-enamide

C10H14F3N3O2 — CID 139388882

IUPAC(Z)-3-acetamido-2-[[methyl(3,3,3-trifluoroprop-1-en-2-yl)amino]methyl]prop-2-enamide
SMILESC=C(N(C)C/C(=C/NC(C)=O)C(N)=O)C(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-6(10(11,12)13)16(3)5-8(9(14)18)4-15-7(2)17/h4H,1,5H2,2-3H3,(H2,14,18)(H,15,17)/b8-4-
InChIKeySWOWGCAEDZFBQD-YWEYNIOJSA-N
MW265.23 g/mol
LogP0.50
Rot. Bonds5

About (Z)-3-acetamido-2-[[methyl(3,3,3-trifluoroprop-1-en-2-yl)amino]methyl]prop-2-enamide

(Z)-3-acetamido-2-[[methyl(3,3,3-trifluoroprop-1-en-2-yl)amino]methyl]prop-2-enamide (PubChem CID 139388882) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is (Z)-3-acetamido-2-[[methyl(3,3,3-trifluoroprop-1-en-2-yl)amino]methyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-acetamido-2-[[methyl(3,3,3-trifluoroprop-1-en-2-yl)amino]methyl]prop-2-enamide
PubChem CID139388882
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name(Z)-3-acetamido-2-[[methyl(3,3,3-trifluoroprop-1-en-2-yl)amino]methyl]prop-2-enamide
SMILESC=C(N(C)C/C(=C/NC(C)=O)C(N)=O)C(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-6(10(11,12)13)16(3)5-8(9(14)18)4-15-7(2)17/h4H,1,5H2,2-3H3,(H2,14,18)(H,15,17)/b8-4-
InChIKeySWOWGCAEDZFBQD-YWEYNIOJSA-N
XLogP0.50
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-acetamido-2-[[methyl(3,3,3-trifluoroprop-1-en-2-yl)amino]methyl]prop-2-enamide?
The IUPAC name of (Z)-3-acetamido-2-[[methyl(3,3,3-trifluoroprop-1-en-2-yl)amino]methyl]prop-2-enamide (CID 139388882) is (Z)-3-acetamido-2-[[methyl(3,3,3-trifluoroprop-1-en-2-yl)amino]methyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-acetamido-2-[[methyl(3,3,3-trifluoroprop-1-en-2-yl)amino]methyl]prop-2-enamide?
The canonical SMILES for (Z)-3-acetamido-2-[[methyl(3,3,3-trifluoroprop-1-en-2-yl)amino]methyl]prop-2-enamide is C=C(N(C)C/C(=C/NC(C)=O)C(N)=O)C(F)(F)F.
What is the InChIKey of (Z)-3-acetamido-2-[[methyl(3,3,3-trifluoroprop-1-en-2-yl)amino]methyl]prop-2-enamide?
The InChIKey is SWOWGCAEDZFBQD-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-6(10(11,12)13)16(3)5-8(9(14)18)4-15-7(2)17/h4H,1,5H2,2-3H3,(H2,14,18)(H,15,17)/b8-4-.
What are the key properties of (Z)-3-acetamido-2-[[methyl(3,3,3-trifluoroprop-1-en-2-yl)amino]methyl]prop-2-enamide?
(Z)-3-acetamido-2-[[methyl(3,3,3-trifluoroprop-1-en-2-yl)amino]methyl]prop-2-enamide has a molecular weight of 265.23 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-acetamido-2-[[methyl(3,3,3-trifluoroprop-1-en-2-yl)amino]methyl]prop-2-enamide is sourced from PubChem (CID 139388882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).