methyl (Z)-3-(2-methylanilino)prop-2-enoate

C11H13NO2 — CID 71733810

IUPACmethyl (Z)-3-(2-methylanilino)prop-2-enoate
SMILESCOC(=O)/C=C\Nc1ccccc1C
InChIInChI=1S/C11H13NO2/c1-9-5-3-4-6-10(9)12-8-7-11(13)14-2/h3-8,12H,1-2H3/b8-7-
InChIKeyRKKCLDMGUQXWRD-FPLPWBNLSA-N
MW191.23 g/mol
LogP2.09
Rot. Bonds3

About methyl (Z)-3-(2-methylanilino)prop-2-enoate

methyl (Z)-3-(2-methylanilino)prop-2-enoate (PubChem CID 71733810) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl (Z)-3-(2-methylanilino)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(2-methylanilino)prop-2-enoate
PubChem CID71733810
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethyl (Z)-3-(2-methylanilino)prop-2-enoate
SMILESCOC(=O)/C=C\Nc1ccccc1C
InChIInChI=1S/C11H13NO2/c1-9-5-3-4-6-10(9)12-8-7-11(13)14-2/h3-8,12H,1-2H3/b8-7-
InChIKeyRKKCLDMGUQXWRD-FPLPWBNLSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.09
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

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Ethyl 2-cyano-3-(5-fluoro-2-methylanilino)acrylate
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Diethyl 2-[(2,5-dimethylanilino)methylene]malonate
CID 2728229
5J-040
CID 2806377
3-[(2-Methylphenyl)amino]propanoic acid
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1,3-Diethyl 2-{[(2,3-dimethylphenyl)amino]methylidene}propanedioate
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1,3-Diethyl 2-{[(2,4-dimethylphenyl)amino]methylidene}propanedioate
CID 3833828
Diethyl 2-((p-tolylamino)methylene)malonate
CID 3851642
2-Propenoic acid, 2-methyl-, 2-(phenylamino)ethyl ester
CID 29530
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CID 96560

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(2-methylanilino)prop-2-enoate?
The IUPAC name of methyl (Z)-3-(2-methylanilino)prop-2-enoate (CID 71733810) is methyl (Z)-3-(2-methylanilino)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(2-methylanilino)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-(2-methylanilino)prop-2-enoate is COC(=O)/C=C\Nc1ccccc1C.
What is the InChIKey of methyl (Z)-3-(2-methylanilino)prop-2-enoate?
The InChIKey is RKKCLDMGUQXWRD-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H13NO2/c1-9-5-3-4-6-10(9)12-8-7-11(13)14-2/h3-8,12H,1-2H3/b8-7-.
What are the key properties of methyl (Z)-3-(2-methylanilino)prop-2-enoate?
methyl (Z)-3-(2-methylanilino)prop-2-enoate has a molecular weight of 191.23 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(2-methylanilino)prop-2-enoate is sourced from PubChem (CID 71733810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).