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

C13H17NO2 — CID 57057517

IUPACethyl 3-(dimethylamino)-2-phenylprop-2-enoate
SMILESCCOC(=O)C(=CN(C)C)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-4-16-13(15)12(10-14(2)3)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3
InChIKeyMZCVLVNHENCMRP-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.15
Rot. Bonds4

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

ethyl 3-(dimethylamino)-2-phenylprop-2-enoate (PubChem CID 57057517) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is ethyl 3-(dimethylamino)-2-phenylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(dimethylamino)-2-phenylprop-2-enoate
PubChem CID57057517
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nameethyl 3-(dimethylamino)-2-phenylprop-2-enoate
SMILESCCOC(=O)C(=CN(C)C)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-4-16-13(15)12(10-14(2)3)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3
InChIKeyMZCVLVNHENCMRP-UHFFFAOYSA-N
XLogP2.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-3-hydroxy-2-phenylprop-2-enoate
CID 12898650
ethyl (Z)-3-amino-2-phenylprop-2-enoate
CID 168921248
ethyl 2-phenylpent-2-enoate
CID 148550128
ethyl (E)-2-(3-cyanophenyl)-3-(dimethylamino)prop-2-enoate
CID 125499734
diethyl 2-hydroxy-5-phenylhexa-2,4-dienedioate
CID 54729638
ethyl (E)-4-oxo-2-phenylbut-2-enoate
CID 122364112
1-(dimethylamino)-2-phenylhex-1-en-3-one
CID 67384334
3-(dimethylamino)-1,2-diphenylprop-2-en-1-one;ethane
CID 90689450
ethyl 2-oxo-2-phenylacetate
CID 15349
ethyl (Z)-2-[[(Z)-1-(dimethylamino)-3-ethoxy-3-oxoprop-1-en-2-yl]iminomethyl]-3-hydroxy-3-phenylprop-2-enoate
CID 135529798
ethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate
CID 71746947
diethyl (E)-4,4-difluoro-2-phenylpent-2-enedioate
CID 162408755

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(dimethylamino)-2-phenylprop-2-enoate?
The IUPAC name of ethyl 3-(dimethylamino)-2-phenylprop-2-enoate (CID 57057517) is ethyl 3-(dimethylamino)-2-phenylprop-2-enoate.
What is the SMILES notation for ethyl 3-(dimethylamino)-2-phenylprop-2-enoate?
The canonical SMILES for ethyl 3-(dimethylamino)-2-phenylprop-2-enoate is CCOC(=O)C(=CN(C)C)c1ccccc1.
What is the InChIKey of ethyl 3-(dimethylamino)-2-phenylprop-2-enoate?
The InChIKey is MZCVLVNHENCMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-16-13(15)12(10-14(2)3)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 3-(dimethylamino)-2-phenylprop-2-enoate?
ethyl 3-(dimethylamino)-2-phenylprop-2-enoate has a molecular weight of 219.28 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(dimethylamino)-2-phenylprop-2-enoate is sourced from PubChem (CID 57057517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).