N-[(E)-but-2-enoxy]benzamide

C11H13NO2 — CID 11095435

IUPACN-[(E)-but-2-enoxy]benzamide
SMILESC/C=C/CONC(=O)c1ccccc1
InChIInChI=1S/C11H13NO2/c1-2-3-9-14-12-11(13)10-7-5-4-6-8-10/h2-8H,9H2,1H3,(H,12,13)/b3-2+
InChIKeyLACBQCFTQOVPAC-NSCUHMNNSA-N
MW191.23 g/mol
LogP1.92
Rot. Bonds4

About N-[(E)-but-2-enoxy]benzamide

N-[(E)-but-2-enoxy]benzamide (PubChem CID 11095435) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is N-[(E)-but-2-enoxy]benzamide.

Molecular Properties

Compound NameN-[(E)-but-2-enoxy]benzamide
PubChem CID11095435
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC NameN-[(E)-but-2-enoxy]benzamide
SMILESC/C=C/CONC(=O)c1ccccc1
InChIInChI=1S/C11H13NO2/c1-2-3-9-14-12-11(13)10-7-5-4-6-8-10/h2-8H,9H2,1H3,(H,12,13)/b3-2+
InChIKeyLACBQCFTQOVPAC-NSCUHMNNSA-N
XLogP1.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 N-[(E)-but-2-enoxy]benzamide?
The IUPAC name of N-[(E)-but-2-enoxy]benzamide (CID 11095435) is N-[(E)-but-2-enoxy]benzamide.
What is the SMILES notation for N-[(E)-but-2-enoxy]benzamide?
The canonical SMILES for N-[(E)-but-2-enoxy]benzamide is C/C=C/CONC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-but-2-enoxy]benzamide?
The InChIKey is LACBQCFTQOVPAC-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-3-9-14-12-11(13)10-7-5-4-6-8-10/h2-8H,9H2,1H3,(H,12,13)/b3-2+.
What are the key properties of N-[(E)-but-2-enoxy]benzamide?
N-[(E)-but-2-enoxy]benzamide has a molecular weight of 191.23 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enoxy]benzamide is sourced from PubChem (CID 11095435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).