methyl 2-benzylimino-2-chloroacetate

C10H10ClNO2 — CID 159056583

IUPACmethyl 2-benzylimino-2-chloroacetate
SMILESCOC(=O)/C(Cl)=N/Cc1ccccc1
InChIInChI=1S/C10H10ClNO2/c1-14-10(13)9(11)12-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3/b12-9-
InChIKeyLROVGDHEHDQMAG-XFXZXTDPSA-N
MW211.65 g/mol
LogP2.00
Rot. Bonds3

About methyl 2-benzylimino-2-chloroacetate

methyl 2-benzylimino-2-chloroacetate (PubChem CID 159056583) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is methyl 2-benzylimino-2-chloroacetate.

Molecular Properties

Compound Namemethyl 2-benzylimino-2-chloroacetate
PubChem CID159056583
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Namemethyl 2-benzylimino-2-chloroacetate
SMILESCOC(=O)/C(Cl)=N/Cc1ccccc1
InChIInChI=1S/C10H10ClNO2/c1-14-10(13)9(11)12-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3/b12-9-
InChIKeyLROVGDHEHDQMAG-XFXZXTDPSA-N
XLogP2.00
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.00
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-benzylimino-2-chloroacetate?
The IUPAC name of methyl 2-benzylimino-2-chloroacetate (CID 159056583) is methyl 2-benzylimino-2-chloroacetate.
What is the SMILES notation for methyl 2-benzylimino-2-chloroacetate?
The canonical SMILES for methyl 2-benzylimino-2-chloroacetate is COC(=O)/C(Cl)=N/Cc1ccccc1.
What is the InChIKey of methyl 2-benzylimino-2-chloroacetate?
The InChIKey is LROVGDHEHDQMAG-XFXZXTDPSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-14-10(13)9(11)12-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3/b12-9-.
What are the key properties of methyl 2-benzylimino-2-chloroacetate?
methyl 2-benzylimino-2-chloroacetate has a molecular weight of 211.65 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzylimino-2-chloroacetate is sourced from PubChem (CID 159056583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).