2-(ethylideneamino)ethyl acetate

C6H11NO2 — CID 145312863

IUPAC2-(ethylideneamino)ethyl acetate
SMILESC/C=N/CCOC(C)=O
InChIInChI=1S/C6H11NO2/c1-3-7-4-5-9-6(2)8/h3H,4-5H2,1-2H3/b7-3+
InChIKeySCBCEMVNVVGXAC-XVNBXDOJSA-N
MW129.16 g/mol
LogP0.64
Rot. Bonds3

About 2-(ethylideneamino)ethyl acetate

2-(ethylideneamino)ethyl acetate (PubChem CID 145312863) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-(ethylideneamino)ethyl acetate.

Molecular Properties

Compound Name2-(ethylideneamino)ethyl acetate
PubChem CID145312863
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-(ethylideneamino)ethyl acetate
SMILESC/C=N/CCOC(C)=O
InChIInChI=1S/C6H11NO2/c1-3-7-4-5-9-6(2)8/h3H,4-5H2,1-2H3/b7-3+
InChIKeySCBCEMVNVVGXAC-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-(1-ethoxyethylideneamino)acetate
CID 295983
Methanimine,C-ethoxycarbonyl,N-ethoxycarbonylmethyl
CID 547205
Dehydromorpholin-2-one
CID 10796705
Methyl[(1-ethoxyethylidene)amino]acetate
CID 10986527
Ethyl 2-(methylideneamino)acetate
CID 12755258
4,5-Dehydromorpholin-2-one
CID 20384247
Ethyl 2-methyliminoacetate
CID 57935279
Ethyl 2-ethyliminoacetate
CID 123445032
Methyl 2-(butylideneamino)acetate
CID 139254783
Methyl-(z)-2-((1-methoxyethylidene)amino)acetate
CID 10749310
Ethyl 2-[(1-methoxyethylidene) amino]acetate
CID 132281819
Ethyl alpha-ethoxyethylideneaminoacetate
CID 368175

Frequently Asked Questions

What is the IUPAC name of 2-(ethylideneamino)ethyl acetate?
The IUPAC name of 2-(ethylideneamino)ethyl acetate (CID 145312863) is 2-(ethylideneamino)ethyl acetate.
What is the SMILES notation for 2-(ethylideneamino)ethyl acetate?
The canonical SMILES for 2-(ethylideneamino)ethyl acetate is C/C=N/CCOC(C)=O.
What is the InChIKey of 2-(ethylideneamino)ethyl acetate?
The InChIKey is SCBCEMVNVVGXAC-XVNBXDOJSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-7-4-5-9-6(2)8/h3H,4-5H2,1-2H3/b7-3+.
What are the key properties of 2-(ethylideneamino)ethyl acetate?
2-(ethylideneamino)ethyl 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 2-(ethylideneamino)ethyl acetate is sourced from PubChem (CID 145312863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).