ethyl 2-(ethylideneamino)acetate

C6H11NO2 — CID 54433510

IUPACethyl 2-(ethylideneamino)acetate
SMILESC/C=N/CC(=O)OCC
InChIInChI=1S/C6H11NO2/c1-3-7-5-6(8)9-4-2/h3H,4-5H2,1-2H3/b7-3+
InChIKeyWJDUAWSLMLZAQI-XVNBXDOJSA-N
MW129.16 g/mol
LogP0.64
Rot. Bonds3

About ethyl 2-(ethylideneamino)acetate

ethyl 2-(ethylideneamino)acetate (PubChem CID 54433510) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is ethyl 2-(ethylideneamino)acetate.

Molecular Properties

Compound Nameethyl 2-(ethylideneamino)acetate
PubChem CID54433510
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Nameethyl 2-(ethylideneamino)acetate
SMILESC/C=N/CC(=O)OCC
InChIInChI=1S/C6H11NO2/c1-3-7-5-6(8)9-4-2/h3H,4-5H2,1-2H3/b7-3+
InChIKeyWJDUAWSLMLZAQI-XVNBXDOJSA-N
XLogP0.64
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.64
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 ethyl 2-(ethylideneamino)acetate?
The IUPAC name of ethyl 2-(ethylideneamino)acetate (CID 54433510) is ethyl 2-(ethylideneamino)acetate.
What is the SMILES notation for ethyl 2-(ethylideneamino)acetate?
The canonical SMILES for ethyl 2-(ethylideneamino)acetate is C/C=N/CC(=O)OCC.
What is the InChIKey of ethyl 2-(ethylideneamino)acetate?
The InChIKey is WJDUAWSLMLZAQI-XVNBXDOJSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-7-5-6(8)9-4-2/h3H,4-5H2,1-2H3/b7-3+.
What are the key properties of ethyl 2-(ethylideneamino)acetate?
ethyl 2-(ethylideneamino)acetate has a molecular weight of 129.16 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylideneamino)acetate is sourced from PubChem (CID 54433510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).