2-(2-cyanophenoxy)-N-prop-2-enylacetamide

C12H12N2O2 — CID 2565359

IUPAC2-(2-cyanophenoxy)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccccc1C#N
InChIInChI=1S/C12H12N2O2/c1-2-7-14-12(15)9-16-11-6-4-3-5-10(11)8-13/h2-6H,1,7,9H2,(H,14,15)
InChIKeyVUGUCJGMGNHHLX-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.24
Rot. Bonds5

About 2-(2-cyanophenoxy)-N-prop-2-enylacetamide

2-(2-cyanophenoxy)-N-prop-2-enylacetamide (PubChem CID 2565359) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-prop-2-enylacetamide
PubChem CID2565359
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-(2-cyanophenoxy)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccccc1C#N
InChIInChI=1S/C12H12N2O2/c1-2-7-14-12(15)9-16-11-6-4-3-5-10(11)8-13/h2-6H,1,7,9H2,(H,14,15)
InChIKeyVUGUCJGMGNHHLX-UHFFFAOYSA-N
XLogP1.24
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-prop-2-enylacetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-prop-2-enylacetamide (CID 2565359) is 2-(2-cyanophenoxy)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-prop-2-enylacetamide is C=CCNC(=O)COc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenoxy)-N-prop-2-enylacetamide?
The InChIKey is VUGUCJGMGNHHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-7-14-12(15)9-16-11-6-4-3-5-10(11)8-13/h2-6H,1,7,9H2,(H,14,15).
What are the key properties of 2-(2-cyanophenoxy)-N-prop-2-enylacetamide?
2-(2-cyanophenoxy)-N-prop-2-enylacetamide has a molecular weight of 216.24 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-prop-2-enylacetamide is sourced from PubChem (CID 2565359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).