2-(2-methylprop-2-enoylamino)ethyl acetate

C8H13NO3 — CID 87125150

IUPAC2-(2-methylprop-2-enoylamino)ethyl acetate
SMILESC=C(C)C(=O)NCCOC(C)=O
InChIInChI=1S/C8H13NO3/c1-6(2)8(11)9-4-5-12-7(3)10/h1,4-5H2,2-3H3,(H,9,11)
InChIKeyLIWLDZJVABIPAF-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.24
Rot. Bonds4

About 2-(2-methylprop-2-enoylamino)ethyl acetate

2-(2-methylprop-2-enoylamino)ethyl acetate (PubChem CID 87125150) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoylamino)ethyl acetate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoylamino)ethyl acetate
PubChem CID87125150
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-(2-methylprop-2-enoylamino)ethyl acetate
SMILESC=C(C)C(=O)NCCOC(C)=O
InChIInChI=1S/C8H13NO3/c1-6(2)8(11)9-4-5-12-7(3)10/h1,4-5H2,2-3H3,(H,9,11)
InChIKeyLIWLDZJVABIPAF-UHFFFAOYSA-N
XLogP0.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methylprop-2-enoylamino)ethyl acetate?
The IUPAC name of 2-(2-methylprop-2-enoylamino)ethyl acetate (CID 87125150) is 2-(2-methylprop-2-enoylamino)ethyl acetate.
What is the SMILES notation for 2-(2-methylprop-2-enoylamino)ethyl acetate?
The canonical SMILES for 2-(2-methylprop-2-enoylamino)ethyl acetate is C=C(C)C(=O)NCCOC(C)=O.
What is the InChIKey of 2-(2-methylprop-2-enoylamino)ethyl acetate?
The InChIKey is LIWLDZJVABIPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-6(2)8(11)9-4-5-12-7(3)10/h1,4-5H2,2-3H3,(H,9,11).
What are the key properties of 2-(2-methylprop-2-enoylamino)ethyl acetate?
2-(2-methylprop-2-enoylamino)ethyl acetate has a molecular weight of 171.20 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoylamino)ethyl acetate is sourced from PubChem (CID 87125150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).