prop-2-enyl (E,1E)-N-methoxy-3-phenylprop-2-enimidate

C13H15NO2 — CID 15262562

IUPACprop-2-enyl (E,1E)-N-methoxy-3-phenylprop-2-enimidate
SMILESC=CCOC(/C=C/c1ccccc1)=N/OC
InChIInChI=1S/C13H15NO2/c1-3-11-16-13(14-15-2)10-9-12-7-5-4-6-8-12/h3-10H,1,11H2,2H3/b10-9+,14-13+
InChIKeyRNJVILBMMPNRST-LBSPPQMYSA-N
MW217.27 g/mol
LogP2.86
Rot. Bonds5

About prop-2-enyl (E,1E)-N-methoxy-3-phenylprop-2-enimidate

prop-2-enyl (E,1E)-N-methoxy-3-phenylprop-2-enimidate (PubChem CID 15262562) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is prop-2-enyl (E,1E)-N-methoxy-3-phenylprop-2-enimidate.

Molecular Properties

Compound Nameprop-2-enyl (E,1E)-N-methoxy-3-phenylprop-2-enimidate
PubChem CID15262562
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Nameprop-2-enyl (E,1E)-N-methoxy-3-phenylprop-2-enimidate
SMILESC=CCOC(/C=C/c1ccccc1)=N/OC
InChIInChI=1S/C13H15NO2/c1-3-11-16-13(14-15-2)10-9-12-7-5-4-6-8-12/h3-10H,1,11H2,2H3/b10-9+,14-13+
InChIKeyRNJVILBMMPNRST-LBSPPQMYSA-N
XLogP2.86
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

methyl (E,1Z)-N-methoxy-3-phenylprop-2-enimidate
CID 12987045
[(E)-2-prop-2-enoxyprop-1-enyl]benzene
CID 67861596
2-prop-2-enoxyprop-1-enylbenzene
CID 54107703
[(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate
CID 13272699
[(1Z)-3-methoxybuta-1,3-dienyl]benzene
CID 24972289
(Z,E)-1-(4-fluorophenyl)-N-methoxy-3-phenylprop-2-en-1-imine
CID 102344328
3-methylidenehexa-1,5-dienylbenzene
CID 91462771
prop-2-enyl 2-(methylamino)-4-phenylbut-3-enoate
CID 67624373
5-phenylpenta-2,4-dienoic acid;prop-2-enyl prop-2-enoate
CID 173001061
(E)-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazine
CID 92531836
(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazine
CID 92531835
prop-2-enyl 2-[(E)-2-phenylethenyl]benzoate
CID 67876110

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (E,1E)-N-methoxy-3-phenylprop-2-enimidate?
The IUPAC name of prop-2-enyl (E,1E)-N-methoxy-3-phenylprop-2-enimidate (CID 15262562) is prop-2-enyl (E,1E)-N-methoxy-3-phenylprop-2-enimidate.
What is the SMILES notation for prop-2-enyl (E,1E)-N-methoxy-3-phenylprop-2-enimidate?
The canonical SMILES for prop-2-enyl (E,1E)-N-methoxy-3-phenylprop-2-enimidate is C=CCOC(/C=C/c1ccccc1)=N/OC.
What is the InChIKey of prop-2-enyl (E,1E)-N-methoxy-3-phenylprop-2-enimidate?
The InChIKey is RNJVILBMMPNRST-LBSPPQMYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-11-16-13(14-15-2)10-9-12-7-5-4-6-8-12/h3-10H,1,11H2,2H3/b10-9+,14-13+.
What are the key properties of prop-2-enyl (E,1E)-N-methoxy-3-phenylprop-2-enimidate?
prop-2-enyl (E,1E)-N-methoxy-3-phenylprop-2-enimidate has a molecular weight of 217.27 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (E,1E)-N-methoxy-3-phenylprop-2-enimidate is sourced from PubChem (CID 15262562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).