2-ethenoxy-N-methylprop-2-enamide

C6H9NO2 — CID 142147604

IUPAC2-ethenoxy-N-methylprop-2-enamide
SMILESC=COC(=C)C(=O)NC
InChIInChI=1S/C6H9NO2/c1-4-9-5(2)6(8)7-3/h4H,1-2H2,3H3,(H,7,8)
InChIKeyFGURLAPLHANMLG-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.41
Rot. Bonds3

About 2-ethenoxy-N-methylprop-2-enamide

2-ethenoxy-N-methylprop-2-enamide (PubChem CID 142147604) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 2-ethenoxy-N-methylprop-2-enamide.

Molecular Properties

Compound Name2-ethenoxy-N-methylprop-2-enamide
PubChem CID142147604
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name2-ethenoxy-N-methylprop-2-enamide
SMILESC=COC(=C)C(=O)NC
InChIInChI=1S/C6H9NO2/c1-4-9-5(2)6(8)7-3/h4H,1-2H2,3H3,(H,7,8)
InChIKeyFGURLAPLHANMLG-UHFFFAOYSA-N
XLogP0.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-ethenoxy-N-methylprop-2-enamide?
The IUPAC name of 2-ethenoxy-N-methylprop-2-enamide (CID 142147604) is 2-ethenoxy-N-methylprop-2-enamide.
What is the SMILES notation for 2-ethenoxy-N-methylprop-2-enamide?
The canonical SMILES for 2-ethenoxy-N-methylprop-2-enamide is C=COC(=C)C(=O)NC.
What is the InChIKey of 2-ethenoxy-N-methylprop-2-enamide?
The InChIKey is FGURLAPLHANMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-4-9-5(2)6(8)7-3/h4H,1-2H2,3H3,(H,7,8).
What are the key properties of 2-ethenoxy-N-methylprop-2-enamide?
2-ethenoxy-N-methylprop-2-enamide has a molecular weight of 127.14 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-N-methylprop-2-enamide is sourced from PubChem (CID 142147604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).