(Z)-2-cyano-3-hydroxy-N-(4-phenylphenyl)but-2-enamide

C17H14N2O2 — CID 54727972

IUPAC(Z)-2-cyano-3-hydroxy-N-(4-phenylphenyl)but-2-enamide
SMILESC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H14N2O2/c1-12(20)16(11-18)17(21)19-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,20H,1H3,(H,19,21)/b16-12-
InChIKeyMUVPBAIVOHJDOC-VBKFSLOCSA-N
MW278.31 g/mol
LogP3.65
Rot. Bonds3

About (Z)-2-cyano-3-hydroxy-N-(4-phenylphenyl)but-2-enamide

(Z)-2-cyano-3-hydroxy-N-(4-phenylphenyl)but-2-enamide (PubChem CID 54727972) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is (Z)-2-cyano-3-hydroxy-N-(4-phenylphenyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-hydroxy-N-(4-phenylphenyl)but-2-enamide
PubChem CID54727972
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name(Z)-2-cyano-3-hydroxy-N-(4-phenylphenyl)but-2-enamide
SMILESC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H14N2O2/c1-12(20)16(11-18)17(21)19-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,20H,1H3,(H,19,21)/b16-12-
InChIKeyMUVPBAIVOHJDOC-VBKFSLOCSA-N
XLogP3.65
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.65
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-N-(4-phenylphenyl)but-2-enamide?
The IUPAC name of (Z)-2-cyano-3-hydroxy-N-(4-phenylphenyl)but-2-enamide (CID 54727972) is (Z)-2-cyano-3-hydroxy-N-(4-phenylphenyl)but-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-hydroxy-N-(4-phenylphenyl)but-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-hydroxy-N-(4-phenylphenyl)but-2-enamide is C/C(O)=C(\C#N)C(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (Z)-2-cyano-3-hydroxy-N-(4-phenylphenyl)but-2-enamide?
The InChIKey is MUVPBAIVOHJDOC-VBKFSLOCSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-12(20)16(11-18)17(21)19-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,20H,1H3,(H,19,21)/b16-12-.
What are the key properties of (Z)-2-cyano-3-hydroxy-N-(4-phenylphenyl)but-2-enamide?
(Z)-2-cyano-3-hydroxy-N-(4-phenylphenyl)but-2-enamide has a molecular weight of 278.31 g/mol, XLogP of 3.65, 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-N-(4-phenylphenyl)but-2-enamide is sourced from PubChem (CID 54727972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).