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

C15H16N2O2 — CID 844493

IUPAC(E)-2-cyano-N-cyclopropyl-3-(2-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccccc1/C=C(\C#N)C(=O)NC1CC1
InChIInChI=1S/C15H16N2O2/c1-2-19-14-6-4-3-5-11(14)9-12(10-16)15(18)17-13-7-8-13/h3-6,9,13H,2,7-8H2,1H3,(H,17,18)/b12-9+
InChIKeyWWAHAWZVATUNCJ-FMIVXFBMSA-N
MW256.31 g/mol
LogP2.27
Rot. Bonds5

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

(E)-2-cyano-N-cyclopropyl-3-(2-ethoxyphenyl)prop-2-enamide (PubChem CID 844493) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is (E)-2-cyano-N-cyclopropyl-3-(2-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-cyclopropyl-3-(2-ethoxyphenyl)prop-2-enamide
PubChem CID844493
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name(E)-2-cyano-N-cyclopropyl-3-(2-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccccc1/C=C(\C#N)C(=O)NC1CC1
InChIInChI=1S/C15H16N2O2/c1-2-19-14-6-4-3-5-11(14)9-12(10-16)15(18)17-13-7-8-13/h3-6,9,13H,2,7-8H2,1H3,(H,17,18)/b12-9+
InChIKeyWWAHAWZVATUNCJ-FMIVXFBMSA-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-(2-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-cyclopropyl-3-(2-ethoxyphenyl)prop-2-enamide (CID 844493) is (E)-2-cyano-N-cyclopropyl-3-(2-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-cyclopropyl-3-(2-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-cyclopropyl-3-(2-ethoxyphenyl)prop-2-enamide is CCOc1ccccc1/C=C(\C#N)C(=O)NC1CC1.
What is the InChIKey of (E)-2-cyano-N-cyclopropyl-3-(2-ethoxyphenyl)prop-2-enamide?
The InChIKey is WWAHAWZVATUNCJ-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-19-14-6-4-3-5-11(14)9-12(10-16)15(18)17-13-7-8-13/h3-6,9,13H,2,7-8H2,1H3,(H,17,18)/b12-9+.
What are the key properties of (E)-2-cyano-N-cyclopropyl-3-(2-ethoxyphenyl)prop-2-enamide?
(E)-2-cyano-N-cyclopropyl-3-(2-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-(2-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 844493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).