prop-2-enyl N-prop-2-enoxybenzenecarboximidate

C13H15NO2 — CID 165355751

IUPACprop-2-enyl N-prop-2-enoxybenzenecarboximidate
SMILESC=CCON=C(OCC=C)c1ccccc1
InChIInChI=1S/C13H15NO2/c1-3-10-15-13(14-16-11-4-2)12-8-6-5-7-9-12/h3-9H,1-2,10-11H2
InChIKeyGHYXJYKLOFCVRR-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.75
Rot. Bonds6

About prop-2-enyl N-prop-2-enoxybenzenecarboximidate

prop-2-enyl N-prop-2-enoxybenzenecarboximidate (PubChem CID 165355751) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is prop-2-enyl N-prop-2-enoxybenzenecarboximidate.

Molecular Properties

Compound Nameprop-2-enyl N-prop-2-enoxybenzenecarboximidate
PubChem CID165355751
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Nameprop-2-enyl N-prop-2-enoxybenzenecarboximidate
SMILESC=CCON=C(OCC=C)c1ccccc1
InChIInChI=1S/C13H15NO2/c1-3-10-15-13(14-16-11-4-2)12-8-6-5-7-9-12/h3-9H,1-2,10-11H2
InChIKeyGHYXJYKLOFCVRR-UHFFFAOYSA-N
XLogP2.75
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 prop-2-enyl N-prop-2-enoxybenzenecarboximidate?
The IUPAC name of prop-2-enyl N-prop-2-enoxybenzenecarboximidate (CID 165355751) is prop-2-enyl N-prop-2-enoxybenzenecarboximidate.
What is the SMILES notation for prop-2-enyl N-prop-2-enoxybenzenecarboximidate?
The canonical SMILES for prop-2-enyl N-prop-2-enoxybenzenecarboximidate is C=CCON=C(OCC=C)c1ccccc1.
What is the InChIKey of prop-2-enyl N-prop-2-enoxybenzenecarboximidate?
The InChIKey is GHYXJYKLOFCVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-10-15-13(14-16-11-4-2)12-8-6-5-7-9-12/h3-9H,1-2,10-11H2.
What are the key properties of prop-2-enyl N-prop-2-enoxybenzenecarboximidate?
prop-2-enyl N-prop-2-enoxybenzenecarboximidate has a molecular weight of 217.27 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-prop-2-enoxybenzenecarboximidate is sourced from PubChem (CID 165355751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).