N-methyl-2-(propanoylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-enamide

C10H13F3N2O2 — CID 170583105

IUPACN-methyl-2-(propanoylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-enamide
SMILESC=C(NC(=O)CC)C(=O)N(C)C(=C)C(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c1-5-8(16)14-6(2)9(17)15(4)7(3)10(11,12)13/h2-3,5H2,1,4H3,(H,14,16)
InChIKeyPQQXYJADTMVZFU-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.56
Rot. Bonds4

About N-methyl-2-(propanoylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-enamide

N-methyl-2-(propanoylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-enamide (PubChem CID 170583105) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is N-methyl-2-(propanoylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-2-(propanoylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-enamide
PubChem CID170583105
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC NameN-methyl-2-(propanoylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-enamide
SMILESC=C(NC(=O)CC)C(=O)N(C)C(=C)C(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c1-5-8(16)14-6(2)9(17)15(4)7(3)10(11,12)13/h2-3,5H2,1,4H3,(H,14,16)
InChIKeyPQQXYJADTMVZFU-UHFFFAOYSA-N
XLogP1.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-2-(propanoylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(propanoylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-enamide?
The IUPAC name of N-methyl-2-(propanoylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-enamide (CID 170583105) is N-methyl-2-(propanoylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-enamide.
What is the SMILES notation for N-methyl-2-(propanoylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-enamide?
The canonical SMILES for N-methyl-2-(propanoylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-enamide is C=C(NC(=O)CC)C(=O)N(C)C(=C)C(F)(F)F.
What is the InChIKey of N-methyl-2-(propanoylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-enamide?
The InChIKey is PQQXYJADTMVZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-5-8(16)14-6(2)9(17)15(4)7(3)10(11,12)13/h2-3,5H2,1,4H3,(H,14,16).
What are the key properties of N-methyl-2-(propanoylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-enamide?
N-methyl-2-(propanoylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-enamide has a molecular weight of 250.22 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(propanoylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-enamide is sourced from PubChem (CID 170583105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).