methyl 3-(4-methylphenyl)iminoprop-2-enoate

C11H11NO2 — CID 10631495

IUPACmethyl 3-(4-methylphenyl)iminoprop-2-enoate
SMILESCOC(=O)C=C=Nc1ccc(C)cc1
InChIInChI=1S/C11H11NO2/c1-9-3-5-10(6-4-9)12-8-7-11(13)14-2/h3-7H,1-2H3
InChIKeyGUJIYMBNLJAGIH-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.03
Rot. Bonds2

About methyl 3-(4-methylphenyl)iminoprop-2-enoate

methyl 3-(4-methylphenyl)iminoprop-2-enoate (PubChem CID 10631495) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl 3-(4-methylphenyl)iminoprop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(4-methylphenyl)iminoprop-2-enoate
PubChem CID10631495
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Namemethyl 3-(4-methylphenyl)iminoprop-2-enoate
SMILESCOC(=O)C=C=Nc1ccc(C)cc1
InChIInChI=1S/C11H11NO2/c1-9-3-5-10(6-4-9)12-8-7-11(13)14-2/h3-7H,1-2H3
InChIKeyGUJIYMBNLJAGIH-UHFFFAOYSA-N
XLogP2.03
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methylphenyl)iminoprop-2-enoate?
The IUPAC name of methyl 3-(4-methylphenyl)iminoprop-2-enoate (CID 10631495) is methyl 3-(4-methylphenyl)iminoprop-2-enoate.
What is the SMILES notation for methyl 3-(4-methylphenyl)iminoprop-2-enoate?
The canonical SMILES for methyl 3-(4-methylphenyl)iminoprop-2-enoate is COC(=O)C=C=Nc1ccc(C)cc1.
What is the InChIKey of methyl 3-(4-methylphenyl)iminoprop-2-enoate?
The InChIKey is GUJIYMBNLJAGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-9-3-5-10(6-4-9)12-8-7-11(13)14-2/h3-7H,1-2H3.
What are the key properties of methyl 3-(4-methylphenyl)iminoprop-2-enoate?
methyl 3-(4-methylphenyl)iminoprop-2-enoate has a molecular weight of 189.21 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methylphenyl)iminoprop-2-enoate is sourced from PubChem (CID 10631495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).