ethyl 3-(N-methylanilino)prop-2-enoate

C12H15NO2 — CID 174882513

IUPACethyl 3-(N-methylanilino)prop-2-enoate
SMILESCCOC(=O)C=CN(C)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-15-12(14)9-10-13(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3
InChIKeyLRJHJLYJLAVRTR-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.20
Rot. Bonds4

About ethyl 3-(N-methylanilino)prop-2-enoate

ethyl 3-(N-methylanilino)prop-2-enoate (PubChem CID 174882513) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is ethyl 3-(N-methylanilino)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(N-methylanilino)prop-2-enoate
PubChem CID174882513
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nameethyl 3-(N-methylanilino)prop-2-enoate
SMILESCCOC(=O)C=CN(C)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-15-12(14)9-10-13(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3
InChIKeyLRJHJLYJLAVRTR-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.20
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)-4-(N-methylanilino)-4-oxobut-2-enoate
CID 6152798
1,5-bis(N-methylanilino)penta-1,4-dien-3-one
CID 3775115
ethyl 3-[4-(N-[4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]anilino)phenyl]prop-2-enoate
CID 139035919
ethyl (4E)-5-phenylpenta-2,4-dienoate
CID 173106795
ethyl (Z)-2-chloro-3-(N-methylanilino)prop-2-enoate
CID 122216502
ethyl (E)-3-(N-acetyl-2-methylanilino)prop-2-enoate
CID 102470408
[(E)-3-ethoxy-3-oxoprop-1-enyl]-triphenylphosphanium
CID 59950522
ethyl (E)-3-[benzyl(prop-2-ynyl)amino]prop-2-enoate
CID 102186725
ethyl 4-triphenylsilylbut-2-enoate
CID 71362828
ethyl (E)-4-methyl-5-(N-methylanilino)pent-4-enoate
CID 166970563
ethyl (Z)-3-diphenylphosphanylprop-2-enoate
CID 10826890
ethyl (E)-4-(dibenzylamino)(213C)but-2-enoate
CID 11151051

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(N-methylanilino)prop-2-enoate?
The IUPAC name of ethyl 3-(N-methylanilino)prop-2-enoate (CID 174882513) is ethyl 3-(N-methylanilino)prop-2-enoate.
What is the SMILES notation for ethyl 3-(N-methylanilino)prop-2-enoate?
The canonical SMILES for ethyl 3-(N-methylanilino)prop-2-enoate is CCOC(=O)C=CN(C)c1ccccc1.
What is the InChIKey of ethyl 3-(N-methylanilino)prop-2-enoate?
The InChIKey is LRJHJLYJLAVRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-15-12(14)9-10-13(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 3-(N-methylanilino)prop-2-enoate?
ethyl 3-(N-methylanilino)prop-2-enoate has a molecular weight of 205.26 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(N-methylanilino)prop-2-enoate is sourced from PubChem (CID 174882513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).