(Z)-N-ethyl-4-methyl-3-(trifluoromethyl)pent-2-enamide

C9H14F3NO — CID 89037505

IUPAC(Z)-N-ethyl-4-methyl-3-(trifluoromethyl)pent-2-enamide
SMILESCCNC(=O)/C=C(/C(C)C)C(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-4-13-8(14)5-7(6(2)3)9(10,11)12/h5-6H,4H2,1-3H3,(H,13,14)/b7-5-
InChIKeySXDDHXHJLNNLFJ-ALCCZGGFSA-N
MW209.21 g/mol
LogP2.27
Rot. Bonds3

About (Z)-N-ethyl-4-methyl-3-(trifluoromethyl)pent-2-enamide

(Z)-N-ethyl-4-methyl-3-(trifluoromethyl)pent-2-enamide (PubChem CID 89037505) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is (Z)-N-ethyl-4-methyl-3-(trifluoromethyl)pent-2-enamide.

Molecular Properties

Compound Name(Z)-N-ethyl-4-methyl-3-(trifluoromethyl)pent-2-enamide
PubChem CID89037505
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name(Z)-N-ethyl-4-methyl-3-(trifluoromethyl)pent-2-enamide
SMILESCCNC(=O)/C=C(/C(C)C)C(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-4-13-8(14)5-7(6(2)3)9(10,11)12/h5-6H,4H2,1-3H3,(H,13,14)/b7-5-
InChIKeySXDDHXHJLNNLFJ-ALCCZGGFSA-N
XLogP2.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-N-ethyl-4-methyl-3-(trifluoromethyl)pent-2-enamide?
The IUPAC name of (Z)-N-ethyl-4-methyl-3-(trifluoromethyl)pent-2-enamide (CID 89037505) is (Z)-N-ethyl-4-methyl-3-(trifluoromethyl)pent-2-enamide.
What is the SMILES notation for (Z)-N-ethyl-4-methyl-3-(trifluoromethyl)pent-2-enamide?
The canonical SMILES for (Z)-N-ethyl-4-methyl-3-(trifluoromethyl)pent-2-enamide is CCNC(=O)/C=C(/C(C)C)C(F)(F)F.
What is the InChIKey of (Z)-N-ethyl-4-methyl-3-(trifluoromethyl)pent-2-enamide?
The InChIKey is SXDDHXHJLNNLFJ-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-4-13-8(14)5-7(6(2)3)9(10,11)12/h5-6H,4H2,1-3H3,(H,13,14)/b7-5-.
What are the key properties of (Z)-N-ethyl-4-methyl-3-(trifluoromethyl)pent-2-enamide?
(Z)-N-ethyl-4-methyl-3-(trifluoromethyl)pent-2-enamide has a molecular weight of 209.21 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-4-methyl-3-(trifluoromethyl)pent-2-enamide is sourced from PubChem (CID 89037505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).