ethyl 3-(methylamino)-3-phenylprop-2-enoate

C12H15NO2 — CID 58005139

IUPACethyl 3-(methylamino)-3-phenylprop-2-enoate
SMILESCCOC(=O)C=C(NC)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-15-12(14)9-11(13-2)10-7-5-4-6-8-10/h4-9,13H,3H2,1-2H3
InChIKeyDEDLAMTXOLUIPK-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.81
Rot. Bonds4

About ethyl 3-(methylamino)-3-phenylprop-2-enoate

ethyl 3-(methylamino)-3-phenylprop-2-enoate (PubChem CID 58005139) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is ethyl 3-(methylamino)-3-phenylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(methylamino)-3-phenylprop-2-enoate
PubChem CID58005139
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nameethyl 3-(methylamino)-3-phenylprop-2-enoate
SMILESCCOC(=O)C=C(NC)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-15-12(14)9-11(13-2)10-7-5-4-6-8-10/h4-9,13H,3H2,1-2H3
InChIKeyDEDLAMTXOLUIPK-UHFFFAOYSA-N
XLogP1.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-(benzylamino)-3-phenylprop-2-enoate
CID 101404500
5-ethoxy-5-oxo-3-phenylpent-3-enoic acid
CID 70049412
ethyl (E)-3-phenyl-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate
CID 15456276
ethyl (E)-3-methoxy-3-phenylprop-2-enoate
CID 68584261
(E)-1-(methylamino)-1-phenylpent-1-en-3-one
CID 121010171
(Z)-3-(methylamino)-3-phenylprop-2-enoic acid
CID 69082862
ethyl (E)-3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-phenylprop-2-enoate
CID 102593541
ethyl (Z)-3-[3-(4-methylphenyl)prop-1-ynylamino]-3-phenylprop-2-enoate
CID 175047738
ethyl (E)-3-anilino-3-ethoxyprop-2-enoate
CID 134965234
ethyl (Z)-3-amino-3-(2-benzoylhydrazinyl)prop-2-enoate
CID 20849886
bis(ethyl (Z)-3-acetamido-3-phenylprop-2-enoate);ethyl (Z)-3-benzamido-3-phenylprop-2-enoate;methyl 3-acetamidobut-2-enoate;methyl (Z)-3-acetamidobut-2-enoate;methyl (E)-3-acetamidobut-2-enoate
CID 161033990
diethyl (Z)-2-benzoylbut-2-enedioate
CID 12750314

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(methylamino)-3-phenylprop-2-enoate?
The IUPAC name of ethyl 3-(methylamino)-3-phenylprop-2-enoate (CID 58005139) is ethyl 3-(methylamino)-3-phenylprop-2-enoate.
What is the SMILES notation for ethyl 3-(methylamino)-3-phenylprop-2-enoate?
The canonical SMILES for ethyl 3-(methylamino)-3-phenylprop-2-enoate is CCOC(=O)C=C(NC)c1ccccc1.
What is the InChIKey of ethyl 3-(methylamino)-3-phenylprop-2-enoate?
The InChIKey is DEDLAMTXOLUIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-15-12(14)9-11(13-2)10-7-5-4-6-8-10/h4-9,13H,3H2,1-2H3.
What are the key properties of ethyl 3-(methylamino)-3-phenylprop-2-enoate?
ethyl 3-(methylamino)-3-phenylprop-2-enoate has a molecular weight of 205.26 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(methylamino)-3-phenylprop-2-enoate is sourced from PubChem (CID 58005139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).