2-methyliminoethyl acetate

C5H9NO2 — CID 163668696

IUPAC2-methyliminoethyl acetate
SMILESC/N=C/COC(C)=O
InChIInChI=1S/C5H9NO2/c1-5(7)8-4-3-6-2/h3H,4H2,1-2H3/b6-3+
InChIKeyJAQUCZZXCLOSTM-ZZXKWVIFSA-N
MW115.13 g/mol
LogP0.25
Rot. Bonds2

About 2-methyliminoethyl acetate

2-methyliminoethyl acetate (PubChem CID 163668696) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 2-methyliminoethyl acetate.

Molecular Properties

Compound Name2-methyliminoethyl acetate
PubChem CID163668696
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name2-methyliminoethyl acetate
SMILESC/N=C/COC(C)=O
InChIInChI=1S/C5H9NO2/c1-5(7)8-4-3-6-2/h3H,4H2,1-2H3/b6-3+
InChIKeyJAQUCZZXCLOSTM-ZZXKWVIFSA-N
XLogP0.25
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.25
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 2-methyliminoethyl acetate?
The IUPAC name of 2-methyliminoethyl acetate (CID 163668696) is 2-methyliminoethyl acetate.
What is the SMILES notation for 2-methyliminoethyl acetate?
The canonical SMILES for 2-methyliminoethyl acetate is C/N=C/COC(C)=O.
What is the InChIKey of 2-methyliminoethyl acetate?
The InChIKey is JAQUCZZXCLOSTM-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H9NO2/c1-5(7)8-4-3-6-2/h3H,4H2,1-2H3/b6-3+.
What are the key properties of 2-methyliminoethyl acetate?
2-methyliminoethyl acetate has a molecular weight of 115.13 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyliminoethyl acetate is sourced from PubChem (CID 163668696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).