(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-(4-methylphenyl)prop-2-enamide

C14H14N2O2 — CID 54696339

IUPAC(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C(\O)C2CC2)cc1
InChIInChI=1S/C14H14N2O2/c1-9-2-6-11(7-3-9)16-14(18)12(8-15)13(17)10-4-5-10/h2-3,6-7,10,17H,4-5H2,1H3,(H,16,18)/b13-12-
InChIKeyKHSWLMSHZNGFRT-SEYXRHQNSA-N
MW242.28 g/mol
LogP2.68
Rot. Bonds3

About (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-(4-methylphenyl)prop-2-enamide

(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-(4-methylphenyl)prop-2-enamide (PubChem CID 54696339) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-(4-methylphenyl)prop-2-enamide
PubChem CID54696339
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C(\O)C2CC2)cc1
InChIInChI=1S/C14H14N2O2/c1-9-2-6-11(7-3-9)16-14(18)12(8-15)13(17)10-4-5-10/h2-3,6-7,10,17H,4-5H2,1H3,(H,16,18)/b13-12-
InChIKeyKHSWLMSHZNGFRT-SEYXRHQNSA-N
XLogP2.68
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.68
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-cyclopropyl-3-hydroxy-N-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-(4-methylphenyl)prop-2-enamide (CID 54696339) is (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-(4-methylphenyl)prop-2-enamide is Cc1ccc(NC(=O)/C(C#N)=C(\O)C2CC2)cc1.
What is the InChIKey of (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-(4-methylphenyl)prop-2-enamide?
The InChIKey is KHSWLMSHZNGFRT-SEYXRHQNSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-2-6-11(7-3-9)16-14(18)12(8-15)13(17)10-4-5-10/h2-3,6-7,10,17H,4-5H2,1H3,(H,16,18)/b13-12-.
What are the key properties of (Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-(4-methylphenyl)prop-2-enamide?
(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-(4-methylphenyl)prop-2-enamide has a molecular weight of 242.28 g/mol, XLogP of 2.68, 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-cyclopropyl-3-hydroxy-N-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 54696339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).