2-[[(E)-3-phenylprop-2-enylidene]amino]ethyl 2-methylprop-2-enoate

C15H17NO2 — CID 102298814

IUPAC2-[[(E)-3-phenylprop-2-enylidene]amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC/N=C/C=C/c1ccccc1
InChIInChI=1S/C15H17NO2/c1-13(2)15(17)18-12-11-16-10-6-9-14-7-4-3-5-8-14/h3-10H,1,11-12H2,2H3/b9-6+,16-10+
InChIKeyNDYMOHMZYLIZLU-FYGXEABWSA-N
MW243.31 g/mol
LogP2.89
Rot. Bonds6

About 2-[[(E)-3-phenylprop-2-enylidene]amino]ethyl 2-methylprop-2-enoate

2-[[(E)-3-phenylprop-2-enylidene]amino]ethyl 2-methylprop-2-enoate (PubChem CID 102298814) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[[(E)-3-phenylprop-2-enylidene]amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[(E)-3-phenylprop-2-enylidene]amino]ethyl 2-methylprop-2-enoate
PubChem CID102298814
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-[[(E)-3-phenylprop-2-enylidene]amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC/N=C/C=C/c1ccccc1
InChIInChI=1S/C15H17NO2/c1-13(2)15(17)18-12-11-16-10-6-9-14-7-4-3-5-8-14/h3-10H,1,11-12H2,2H3/b9-6+,16-10+
InChIKeyNDYMOHMZYLIZLU-FYGXEABWSA-N
XLogP2.89
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.89
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-5-phenylpenta-2,4-dienoate
CID 174480451
[3-oxo-3-[4-(2-phenylethenyl)phenoxy]propyl] 2-methylprop-2-enoate
CID 118976656
2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-phenylprop-2-enoate
CID 70124649
2-(3-phenylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;styrene
CID 175223098
[4-(2-methylprop-2-enoyloxy)-6-phenylhex-5-enyl] 2-methylprop-2-enoate
CID 70229754
2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate
CID 137350549
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
(2-hydroxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate
CID 54174138
sodium;2-hydroxyethyl 2-methylprop-2-enoate;2-phenylethenesulfonate
CID 86722558
dodecyl 2-methylprop-2-enoate;4-phenylbut-3-enoic acid
CID 174889777
octadecyl 2-methylprop-2-enoate;4-phenylbut-3-enoic acid
CID 174890269
butyl 2-methylidene-4-phenylbut-3-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 88665483

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-phenylprop-2-enylidene]amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[(E)-3-phenylprop-2-enylidene]amino]ethyl 2-methylprop-2-enoate (CID 102298814) is 2-[[(E)-3-phenylprop-2-enylidene]amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[(E)-3-phenylprop-2-enylidene]amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[(E)-3-phenylprop-2-enylidene]amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC/N=C/C=C/c1ccccc1.
What is the InChIKey of 2-[[(E)-3-phenylprop-2-enylidene]amino]ethyl 2-methylprop-2-enoate?
The InChIKey is NDYMOHMZYLIZLU-FYGXEABWSA-N. The full InChI is InChI=1S/C15H17NO2/c1-13(2)15(17)18-12-11-16-10-6-9-14-7-4-3-5-8-14/h3-10H,1,11-12H2,2H3/b9-6+,16-10+.
What are the key properties of 2-[[(E)-3-phenylprop-2-enylidene]amino]ethyl 2-methylprop-2-enoate?
2-[[(E)-3-phenylprop-2-enylidene]amino]ethyl 2-methylprop-2-enoate has a molecular weight of 243.31 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-phenylprop-2-enylidene]amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 102298814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).