methyl N-(4-methylphenyl)-3-oxoprop-2-enimidate

C11H11NO2 — CID 10487883

IUPACmethyl N-(4-methylphenyl)-3-oxoprop-2-enimidate
SMILESCO/C(C=C=O)=N\c1ccc(C)cc1
InChIInChI=1S/C11H11NO2/c1-9-3-5-10(6-4-9)12-11(14-2)7-8-13/h3-7H,1-2H3/b12-11-
InChIKeyMOGUCDWOVQCGHH-QXMHVHEDSA-N
MW189.21 g/mol
LogP2.06
Rot. Bonds2

About methyl N-(4-methylphenyl)-3-oxoprop-2-enimidate

methyl N-(4-methylphenyl)-3-oxoprop-2-enimidate (PubChem CID 10487883) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl N-(4-methylphenyl)-3-oxoprop-2-enimidate.

Molecular Properties

Compound Namemethyl N-(4-methylphenyl)-3-oxoprop-2-enimidate
PubChem CID10487883
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Namemethyl N-(4-methylphenyl)-3-oxoprop-2-enimidate
SMILESCO/C(C=C=O)=N\c1ccc(C)cc1
InChIInChI=1S/C11H11NO2/c1-9-3-5-10(6-4-9)12-11(14-2)7-8-13/h3-7H,1-2H3/b12-11-
InChIKeyMOGUCDWOVQCGHH-QXMHVHEDSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-(4-methylphenyl)-3-oxoprop-2-enimidate?
The IUPAC name of methyl N-(4-methylphenyl)-3-oxoprop-2-enimidate (CID 10487883) is methyl N-(4-methylphenyl)-3-oxoprop-2-enimidate.
What is the SMILES notation for methyl N-(4-methylphenyl)-3-oxoprop-2-enimidate?
The canonical SMILES for methyl N-(4-methylphenyl)-3-oxoprop-2-enimidate is CO/C(C=C=O)=N\c1ccc(C)cc1.
What is the InChIKey of methyl N-(4-methylphenyl)-3-oxoprop-2-enimidate?
The InChIKey is MOGUCDWOVQCGHH-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H11NO2/c1-9-3-5-10(6-4-9)12-11(14-2)7-8-13/h3-7H,1-2H3/b12-11-.
What are the key properties of methyl N-(4-methylphenyl)-3-oxoprop-2-enimidate?
methyl N-(4-methylphenyl)-3-oxoprop-2-enimidate has a molecular weight of 189.21 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-methylphenyl)-3-oxoprop-2-enimidate is sourced from PubChem (CID 10487883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).