3-methoxy-N-methylprop-2-enamide

C5H9NO2 — CID 54289600

IUPAC3-methoxy-N-methylprop-2-enamide
SMILESCNC(=O)C=COC
InChIInChI=1S/C5H9NO2/c1-6-5(7)3-4-8-2/h3-4H,1-2H3,(H,6,7)
InChIKeyXLETYQYYFYXDOR-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.11
Rot. Bonds2

About 3-methoxy-N-methylprop-2-enamide

3-methoxy-N-methylprop-2-enamide (PubChem CID 54289600) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 3-methoxy-N-methylprop-2-enamide.

Molecular Properties

Compound Name3-methoxy-N-methylprop-2-enamide
PubChem CID54289600
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name3-methoxy-N-methylprop-2-enamide
SMILESCNC(=O)C=COC
InChIInChI=1S/C5H9NO2/c1-6-5(7)3-4-8-2/h3-4H,1-2H3,(H,6,7)
InChIKeyXLETYQYYFYXDOR-UHFFFAOYSA-N
XLogP-0.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.11
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 3-methoxy-N-methylprop-2-enamide?
The IUPAC name of 3-methoxy-N-methylprop-2-enamide (CID 54289600) is 3-methoxy-N-methylprop-2-enamide.
What is the SMILES notation for 3-methoxy-N-methylprop-2-enamide?
The canonical SMILES for 3-methoxy-N-methylprop-2-enamide is CNC(=O)C=COC.
What is the InChIKey of 3-methoxy-N-methylprop-2-enamide?
The InChIKey is XLETYQYYFYXDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-6-5(7)3-4-8-2/h3-4H,1-2H3,(H,6,7).
What are the key properties of 3-methoxy-N-methylprop-2-enamide?
3-methoxy-N-methylprop-2-enamide has a molecular weight of 115.13 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methylprop-2-enamide is sourced from PubChem (CID 54289600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).