(E)-2-cyano-N-cyclopropyl-3-(3-ethoxyphenyl)prop-2-enamide

C15H16N2O2 — CID 844513

IUPAC(E)-2-cyano-N-cyclopropyl-3-(3-ethoxyphenyl)prop-2-enamide
SMILESCCOc1cccc(/C=C(\C#N)C(=O)NC2CC2)c1
InChIInChI=1S/C15H16N2O2/c1-2-19-14-5-3-4-11(9-14)8-12(10-16)15(18)17-13-6-7-13/h3-5,8-9,13H,2,6-7H2,1H3,(H,17,18)/b12-8+
InChIKeyJTENSXABBXTCKS-XYOKQWHBSA-N
MW256.31 g/mol
LogP2.27
Rot. Bonds5

About (E)-2-cyano-N-cyclopropyl-3-(3-ethoxyphenyl)prop-2-enamide

(E)-2-cyano-N-cyclopropyl-3-(3-ethoxyphenyl)prop-2-enamide (PubChem CID 844513) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is (E)-2-cyano-N-cyclopropyl-3-(3-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-cyclopropyl-3-(3-ethoxyphenyl)prop-2-enamide
PubChem CID844513
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name(E)-2-cyano-N-cyclopropyl-3-(3-ethoxyphenyl)prop-2-enamide
SMILESCCOc1cccc(/C=C(\C#N)C(=O)NC2CC2)c1
InChIInChI=1S/C15H16N2O2/c1-2-19-14-5-3-4-11(9-14)8-12(10-16)15(18)17-13-6-7-13/h3-5,8-9,13H,2,6-7H2,1H3,(H,17,18)/b12-8+
InChIKeyJTENSXABBXTCKS-XYOKQWHBSA-N
XLogP2.27
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-N-cyclopropyl-3-(3-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-cyclopropyl-3-(3-ethoxyphenyl)prop-2-enamide (CID 844513) is (E)-2-cyano-N-cyclopropyl-3-(3-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-cyclopropyl-3-(3-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-cyclopropyl-3-(3-ethoxyphenyl)prop-2-enamide is CCOc1cccc(/C=C(\C#N)C(=O)NC2CC2)c1.
What is the InChIKey of (E)-2-cyano-N-cyclopropyl-3-(3-ethoxyphenyl)prop-2-enamide?
The InChIKey is JTENSXABBXTCKS-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-19-14-5-3-4-11(9-14)8-12(10-16)15(18)17-13-6-7-13/h3-5,8-9,13H,2,6-7H2,1H3,(H,17,18)/b12-8+.
What are the key properties of (E)-2-cyano-N-cyclopropyl-3-(3-ethoxyphenyl)prop-2-enamide?
(E)-2-cyano-N-cyclopropyl-3-(3-ethoxyphenyl)prop-2-enamide has a molecular weight of 256.31 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-cyclopropyl-3-(3-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 844513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).