ethyl 2-(butylideneamino)acetate

C8H15NO2 — CID 45082233

IUPACethyl 2-(butylideneamino)acetate
SMILESCCC/C=N/CC(=O)OCC
InChIInChI=1S/C8H15NO2/c1-3-5-6-9-7-8(10)11-4-2/h6H,3-5,7H2,1-2H3/b9-6+
InChIKeyYNPPCZAIMGBQAB-RMKNXTFCSA-N
MW157.21 g/mol
LogP1.42
Rot. Bonds5

About ethyl 2-(butylideneamino)acetate

ethyl 2-(butylideneamino)acetate (PubChem CID 45082233) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is ethyl 2-(butylideneamino)acetate.

Molecular Properties

Compound Nameethyl 2-(butylideneamino)acetate
PubChem CID45082233
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameethyl 2-(butylideneamino)acetate
SMILESCCC/C=N/CC(=O)OCC
InChIInChI=1S/C8H15NO2/c1-3-5-6-9-7-8(10)11-4-2/h6H,3-5,7H2,1-2H3/b9-6+
InChIKeyYNPPCZAIMGBQAB-RMKNXTFCSA-N
XLogP1.42
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.42
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-(butylideneamino)acetate?
The IUPAC name of ethyl 2-(butylideneamino)acetate (CID 45082233) is ethyl 2-(butylideneamino)acetate.
What is the SMILES notation for ethyl 2-(butylideneamino)acetate?
The canonical SMILES for ethyl 2-(butylideneamino)acetate is CCC/C=N/CC(=O)OCC.
What is the InChIKey of ethyl 2-(butylideneamino)acetate?
The InChIKey is YNPPCZAIMGBQAB-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-5-6-9-7-8(10)11-4-2/h6H,3-5,7H2,1-2H3/b9-6+.
What are the key properties of ethyl 2-(butylideneamino)acetate?
ethyl 2-(butylideneamino)acetate has a molecular weight of 157.21 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(butylideneamino)acetate is sourced from PubChem (CID 45082233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).