methyl 2-(naphthalen-2-ylmethylideneamino)acetate

C14H13NO2 — CID 11064169

IUPACmethyl 2-(naphthalen-2-ylmethylideneamino)acetate
SMILESCOC(=O)C/N=C/c1ccc2ccccc2c1
InChIInChI=1S/C14H13NO2/c1-17-14(16)10-15-9-11-6-7-12-4-2-3-5-13(12)8-11/h2-9H,10H2,1H3/b15-9+
InChIKeyGSFULWASDJXJAX-OQLLNIDSSA-N
MW227.26 g/mol
LogP2.43
Rot. Bonds3

About methyl 2-(naphthalen-2-ylmethylideneamino)acetate

methyl 2-(naphthalen-2-ylmethylideneamino)acetate (PubChem CID 11064169) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 2-(naphthalen-2-ylmethylideneamino)acetate.

Molecular Properties

Compound Namemethyl 2-(naphthalen-2-ylmethylideneamino)acetate
PubChem CID11064169
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Namemethyl 2-(naphthalen-2-ylmethylideneamino)acetate
SMILESCOC(=O)C/N=C/c1ccc2ccccc2c1
InChIInChI=1S/C14H13NO2/c1-17-14(16)10-15-9-11-6-7-12-4-2-3-5-13(12)8-11/h2-9H,10H2,1H3/b15-9+
InChIKeyGSFULWASDJXJAX-OQLLNIDSSA-N
XLogP2.43
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-(naphthalen-2-ylmethylideneamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(naphthalen-2-ylmethylideneamino)acetate?
The IUPAC name of methyl 2-(naphthalen-2-ylmethylideneamino)acetate (CID 11064169) is methyl 2-(naphthalen-2-ylmethylideneamino)acetate.
What is the SMILES notation for methyl 2-(naphthalen-2-ylmethylideneamino)acetate?
The canonical SMILES for methyl 2-(naphthalen-2-ylmethylideneamino)acetate is COC(=O)C/N=C/c1ccc2ccccc2c1.
What is the InChIKey of methyl 2-(naphthalen-2-ylmethylideneamino)acetate?
The InChIKey is GSFULWASDJXJAX-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H13NO2/c1-17-14(16)10-15-9-11-6-7-12-4-2-3-5-13(12)8-11/h2-9H,10H2,1H3/b15-9+.
What are the key properties of methyl 2-(naphthalen-2-ylmethylideneamino)acetate?
methyl 2-(naphthalen-2-ylmethylideneamino)acetate has a molecular weight of 227.26 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(naphthalen-2-ylmethylideneamino)acetate is sourced from PubChem (CID 11064169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).