ethyl 2-cyano-2-(1-ethoxypropylideneamino)acetate

C10H16N2O3 — CID 87287190

IUPACethyl 2-cyano-2-(1-ethoxypropylideneamino)acetate
SMILESCCOC(=O)C(C#N)/N=C(\CC)OCC
InChIInChI=1S/C10H16N2O3/c1-4-9(14-5-2)12-8(7-11)10(13)15-6-3/h8H,4-6H2,1-3H3/b12-9+
InChIKeyAQIFLLLCTHJUJD-FMIVXFBMSA-N
MW212.25 g/mol
LogP1.29
Rot. Bonds5

About ethyl 2-cyano-2-(1-ethoxypropylideneamino)acetate

ethyl 2-cyano-2-(1-ethoxypropylideneamino)acetate (PubChem CID 87287190) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethyl 2-cyano-2-(1-ethoxypropylideneamino)acetate.

Molecular Properties

Compound Nameethyl 2-cyano-2-(1-ethoxypropylideneamino)acetate
PubChem CID87287190
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nameethyl 2-cyano-2-(1-ethoxypropylideneamino)acetate
SMILESCCOC(=O)C(C#N)/N=C(\CC)OCC
InChIInChI=1S/C10H16N2O3/c1-4-9(14-5-2)12-8(7-11)10(13)15-6-3/h8H,4-6H2,1-3H3/b12-9+
InChIKeyAQIFLLLCTHJUJD-FMIVXFBMSA-N
XLogP1.29
TPSA71.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-2-(1-ethoxypropylideneamino)acetate?
The IUPAC name of ethyl 2-cyano-2-(1-ethoxypropylideneamino)acetate (CID 87287190) is ethyl 2-cyano-2-(1-ethoxypropylideneamino)acetate.
What is the SMILES notation for ethyl 2-cyano-2-(1-ethoxypropylideneamino)acetate?
The canonical SMILES for ethyl 2-cyano-2-(1-ethoxypropylideneamino)acetate is CCOC(=O)C(C#N)/N=C(\CC)OCC.
What is the InChIKey of ethyl 2-cyano-2-(1-ethoxypropylideneamino)acetate?
The InChIKey is AQIFLLLCTHJUJD-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-9(14-5-2)12-8(7-11)10(13)15-6-3/h8H,4-6H2,1-3H3/b12-9+.
What are the key properties of ethyl 2-cyano-2-(1-ethoxypropylideneamino)acetate?
ethyl 2-cyano-2-(1-ethoxypropylideneamino)acetate has a molecular weight of 212.25 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-2-(1-ethoxypropylideneamino)acetate is sourced from PubChem (CID 87287190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).