(E)-2-cyano-3-(4-fluorophenyl)prop-2-enamide

C10H7FN2O — CID 931990

IUPAC(E)-2-cyano-3-(4-fluorophenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(F)cc1)C(N)=O
InChIInChI=1S/C10H7FN2O/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H2,13,14)/b8-5+
InChIKeyWOEWWPQQUQZVHI-VMPITWQZSA-N
MW190.18 g/mol
LogP1.22
Rot. Bonds2

About (E)-2-cyano-3-(4-fluorophenyl)prop-2-enamide

(E)-2-cyano-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 931990) has the molecular formula C10H7FN2O and a molecular weight of 190.18 g/mol. Its IUPAC name is (E)-2-cyano-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(4-fluorophenyl)prop-2-enamide
PubChem CID931990
Molecular FormulaC10H7FN2O
Molecular Weight190.18 g/mol
Exact Mass190.05
IUPAC Name(E)-2-cyano-3-(4-fluorophenyl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(F)cc1)C(N)=O
InChIInChI=1S/C10H7FN2O/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H2,13,14)/b8-5+
InChIKeyWOEWWPQQUQZVHI-VMPITWQZSA-N
XLogP1.22
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (E)-2-cyano-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(4-fluorophenyl)prop-2-enamide (CID 931990) is (E)-2-cyano-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(4-fluorophenyl)prop-2-enamide is N#C/C(=C\c1ccc(F)cc1)C(N)=O.
What is the InChIKey of (E)-2-cyano-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is WOEWWPQQUQZVHI-VMPITWQZSA-N. The full InChI is InChI=1S/C10H7FN2O/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H2,13,14)/b8-5+.
What are the key properties of (E)-2-cyano-3-(4-fluorophenyl)prop-2-enamide?
(E)-2-cyano-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 190.18 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 931990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).