2-[2-(prop-2-enoylamino)ethoxy]ethyl acetate

C9H15NO4 — CID 139693285

IUPAC2-[2-(prop-2-enoylamino)ethoxy]ethyl acetate
SMILESC=CC(=O)NCCOCCOC(C)=O
InChIInChI=1S/C9H15NO4/c1-3-9(12)10-4-5-13-6-7-14-8(2)11/h3H,1,4-7H2,2H3,(H,10,12)
InChIKeyYNTDYLJWYICUFZ-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.13
Rot. Bonds7

About 2-[2-(prop-2-enoylamino)ethoxy]ethyl acetate

2-[2-(prop-2-enoylamino)ethoxy]ethyl acetate (PubChem CID 139693285) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[2-(prop-2-enoylamino)ethoxy]ethyl acetate.

Molecular Properties

Compound Name2-[2-(prop-2-enoylamino)ethoxy]ethyl acetate
PubChem CID139693285
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-[2-(prop-2-enoylamino)ethoxy]ethyl acetate
SMILESC=CC(=O)NCCOCCOC(C)=O
InChIInChI=1S/C9H15NO4/c1-3-9(12)10-4-5-13-6-7-14-8(2)11/h3H,1,4-7H2,2H3,(H,10,12)
InChIKeyYNTDYLJWYICUFZ-UHFFFAOYSA-N
XLogP-0.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(prop-2-enoylamino)ethoxy]ethyl acetate?
The IUPAC name of 2-[2-(prop-2-enoylamino)ethoxy]ethyl acetate (CID 139693285) is 2-[2-(prop-2-enoylamino)ethoxy]ethyl acetate.
What is the SMILES notation for 2-[2-(prop-2-enoylamino)ethoxy]ethyl acetate?
The canonical SMILES for 2-[2-(prop-2-enoylamino)ethoxy]ethyl acetate is C=CC(=O)NCCOCCOC(C)=O.
What is the InChIKey of 2-[2-(prop-2-enoylamino)ethoxy]ethyl acetate?
The InChIKey is YNTDYLJWYICUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-3-9(12)10-4-5-13-6-7-14-8(2)11/h3H,1,4-7H2,2H3,(H,10,12).
What are the key properties of 2-[2-(prop-2-enoylamino)ethoxy]ethyl acetate?
2-[2-(prop-2-enoylamino)ethoxy]ethyl acetate has a molecular weight of 201.22 g/mol, XLogP of -0.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(prop-2-enoylamino)ethoxy]ethyl acetate is sourced from PubChem (CID 139693285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).