(Z)-2-cyano-3-hydroxy-4-methyl-N-[4-(trifluoromethyl)phenyl]pent-2-enamide

C14H13F3N2O2 — CID 54708594

IUPAC(Z)-2-cyano-3-hydroxy-4-methyl-N-[4-(trifluoromethyl)phenyl]pent-2-enamide
SMILESCC(C)/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2O2/c1-8(2)12(20)11(7-18)13(21)19-10-5-3-9(4-6-10)14(15,16)17/h3-6,8,20H,1-2H3,(H,19,21)/b12-11-
InChIKeyCWVDDYURUOGURH-QXMHVHEDSA-N
MW298.26 g/mol
LogP3.64
Rot. Bonds3

About (Z)-2-cyano-3-hydroxy-4-methyl-N-[4-(trifluoromethyl)phenyl]pent-2-enamide

(Z)-2-cyano-3-hydroxy-4-methyl-N-[4-(trifluoromethyl)phenyl]pent-2-enamide (PubChem CID 54708594) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is (Z)-2-cyano-3-hydroxy-4-methyl-N-[4-(trifluoromethyl)phenyl]pent-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-hydroxy-4-methyl-N-[4-(trifluoromethyl)phenyl]pent-2-enamide
PubChem CID54708594
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name(Z)-2-cyano-3-hydroxy-4-methyl-N-[4-(trifluoromethyl)phenyl]pent-2-enamide
SMILESCC(C)/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2O2/c1-8(2)12(20)11(7-18)13(21)19-10-5-3-9(4-6-10)14(15,16)17/h3-6,8,20H,1-2H3,(H,19,21)/b12-11-
InChIKeyCWVDDYURUOGURH-QXMHVHEDSA-N
XLogP3.64
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-hydroxy-4-methyl-N-[4-(trifluoromethyl)phenyl]pent-2-enamide?
The IUPAC name of (Z)-2-cyano-3-hydroxy-4-methyl-N-[4-(trifluoromethyl)phenyl]pent-2-enamide (CID 54708594) is (Z)-2-cyano-3-hydroxy-4-methyl-N-[4-(trifluoromethyl)phenyl]pent-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-hydroxy-4-methyl-N-[4-(trifluoromethyl)phenyl]pent-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-hydroxy-4-methyl-N-[4-(trifluoromethyl)phenyl]pent-2-enamide is CC(C)/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (Z)-2-cyano-3-hydroxy-4-methyl-N-[4-(trifluoromethyl)phenyl]pent-2-enamide?
The InChIKey is CWVDDYURUOGURH-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-8(2)12(20)11(7-18)13(21)19-10-5-3-9(4-6-10)14(15,16)17/h3-6,8,20H,1-2H3,(H,19,21)/b12-11-.
What are the key properties of (Z)-2-cyano-3-hydroxy-4-methyl-N-[4-(trifluoromethyl)phenyl]pent-2-enamide?
(Z)-2-cyano-3-hydroxy-4-methyl-N-[4-(trifluoromethyl)phenyl]pent-2-enamide has a molecular weight of 298.26 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-hydroxy-4-methyl-N-[4-(trifluoromethyl)phenyl]pent-2-enamide is sourced from PubChem (CID 54708594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).