methyl 2-[(2-methylphenyl)methylideneamino]acetate

C11H13NO2 — CID 11034770

IUPACmethyl 2-[(2-methylphenyl)methylideneamino]acetate
SMILESCOC(=O)C/N=C/c1ccccc1C
InChIInChI=1S/C11H13NO2/c1-9-5-3-4-6-10(9)7-12-8-11(13)14-2/h3-7H,8H2,1-2H3/b12-7+
InChIKeyJQVAVIYEJTYYQV-KPKJPENVSA-N
MW191.23 g/mol
LogP1.59
Rot. Bonds3

About methyl 2-[(2-methylphenyl)methylideneamino]acetate

methyl 2-[(2-methylphenyl)methylideneamino]acetate (PubChem CID 11034770) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl 2-[(2-methylphenyl)methylideneamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methylphenyl)methylideneamino]acetate
PubChem CID11034770
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethyl 2-[(2-methylphenyl)methylideneamino]acetate
SMILESCOC(=O)C/N=C/c1ccccc1C
InChIInChI=1S/C11H13NO2/c1-9-5-3-4-6-10(9)7-12-8-11(13)14-2/h3-7H,8H2,1-2H3/b12-7+
InChIKeyJQVAVIYEJTYYQV-KPKJPENVSA-N
XLogP1.59
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylphenyl)methylideneamino]acetate?
The IUPAC name of methyl 2-[(2-methylphenyl)methylideneamino]acetate (CID 11034770) is methyl 2-[(2-methylphenyl)methylideneamino]acetate.
What is the SMILES notation for methyl 2-[(2-methylphenyl)methylideneamino]acetate?
The canonical SMILES for methyl 2-[(2-methylphenyl)methylideneamino]acetate is COC(=O)C/N=C/c1ccccc1C.
What is the InChIKey of methyl 2-[(2-methylphenyl)methylideneamino]acetate?
The InChIKey is JQVAVIYEJTYYQV-KPKJPENVSA-N. The full InChI is InChI=1S/C11H13NO2/c1-9-5-3-4-6-10(9)7-12-8-11(13)14-2/h3-7H,8H2,1-2H3/b12-7+.
What are the key properties of methyl 2-[(2-methylphenyl)methylideneamino]acetate?
methyl 2-[(2-methylphenyl)methylideneamino]acetate has a molecular weight of 191.23 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylphenyl)methylideneamino]acetate is sourced from PubChem (CID 11034770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).