2-(4-nitrophenoxy)-N-prop-2-enylacetamide

C11H12N2O4 — CID 2203647

IUPAC2-(4-nitrophenoxy)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H12N2O4/c1-2-7-12-11(14)8-17-10-5-3-9(4-6-10)13(15)16/h2-6H,1,7-8H2,(H,12,14)
InChIKeyWAFGBRNEXQJJGS-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.28
Rot. Bonds6

About 2-(4-nitrophenoxy)-N-prop-2-enylacetamide

2-(4-nitrophenoxy)-N-prop-2-enylacetamide (PubChem CID 2203647) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-prop-2-enylacetamide
PubChem CID2203647
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name2-(4-nitrophenoxy)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H12N2O4/c1-2-7-12-11(14)8-17-10-5-3-9(4-6-10)13(15)16/h2-6H,1,7-8H2,(H,12,14)
InChIKeyWAFGBRNEXQJJGS-UHFFFAOYSA-N
XLogP1.28
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-prop-2-enylacetamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-prop-2-enylacetamide (CID 2203647) is 2-(4-nitrophenoxy)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-prop-2-enylacetamide is C=CCNC(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-prop-2-enylacetamide?
The InChIKey is WAFGBRNEXQJJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-2-7-12-11(14)8-17-10-5-3-9(4-6-10)13(15)16/h2-6H,1,7-8H2,(H,12,14).
What are the key properties of 2-(4-nitrophenoxy)-N-prop-2-enylacetamide?
2-(4-nitrophenoxy)-N-prop-2-enylacetamide has a molecular weight of 236.23 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-prop-2-enylacetamide is sourced from PubChem (CID 2203647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).