3-formyl-N-prop-2-enoxybenzamide

C11H11NO3 — CID 11672903

IUPAC3-formyl-N-prop-2-enoxybenzamide
SMILESC=CCONC(=O)c1cccc(C=O)c1
InChIInChI=1S/C11H11NO3/c1-2-6-15-12-11(14)10-5-3-4-9(7-10)8-13/h2-5,7-8H,1,6H2,(H,12,14)
InChIKeyQUSGSNIISSXYBF-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.35
Rot. Bonds5

About 3-formyl-N-prop-2-enoxybenzamide

3-formyl-N-prop-2-enoxybenzamide (PubChem CID 11672903) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-formyl-N-prop-2-enoxybenzamide.

Molecular Properties

Compound Name3-formyl-N-prop-2-enoxybenzamide
PubChem CID11672903
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name3-formyl-N-prop-2-enoxybenzamide
SMILESC=CCONC(=O)c1cccc(C=O)c1
InChIInChI=1S/C11H11NO3/c1-2-6-15-12-11(14)10-5-3-4-9(7-10)8-13/h2-5,7-8H,1,6H2,(H,12,14)
InChIKeyQUSGSNIISSXYBF-UHFFFAOYSA-N
XLogP1.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 3-formyl-N-prop-2-enoxybenzamide?
The IUPAC name of 3-formyl-N-prop-2-enoxybenzamide (CID 11672903) is 3-formyl-N-prop-2-enoxybenzamide.
What is the SMILES notation for 3-formyl-N-prop-2-enoxybenzamide?
The canonical SMILES for 3-formyl-N-prop-2-enoxybenzamide is C=CCONC(=O)c1cccc(C=O)c1.
What is the InChIKey of 3-formyl-N-prop-2-enoxybenzamide?
The InChIKey is QUSGSNIISSXYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-2-6-15-12-11(14)10-5-3-4-9(7-10)8-13/h2-5,7-8H,1,6H2,(H,12,14).
What are the key properties of 3-formyl-N-prop-2-enoxybenzamide?
3-formyl-N-prop-2-enoxybenzamide has a molecular weight of 205.21 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-N-prop-2-enoxybenzamide is sourced from PubChem (CID 11672903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).