2-[2-(methylamino)-2-oxoethoxy]prop-2-enamide

C6H10N2O3 — CID 156729314

IUPAC2-[2-(methylamino)-2-oxoethoxy]prop-2-enamide
SMILESC=C(OCC(=O)NC)C(N)=O
InChIInChI=1S/C6H10N2O3/c1-4(6(7)10)11-3-5(9)8-2/h1,3H2,2H3,(H2,7,10)(H,8,9)
InChIKeyJAWYOKYIIGXTKD-UHFFFAOYSA-N
MW158.16 g/mol
LogP-1.25
Rot. Bonds4

About 2-[2-(methylamino)-2-oxoethoxy]prop-2-enamide

2-[2-(methylamino)-2-oxoethoxy]prop-2-enamide (PubChem CID 156729314) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 2-[2-(methylamino)-2-oxoethoxy]prop-2-enamide.

Molecular Properties

Compound Name2-[2-(methylamino)-2-oxoethoxy]prop-2-enamide
PubChem CID156729314
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name2-[2-(methylamino)-2-oxoethoxy]prop-2-enamide
SMILESC=C(OCC(=O)NC)C(N)=O
InChIInChI=1S/C6H10N2O3/c1-4(6(7)10)11-3-5(9)8-2/h1,3H2,2H3,(H2,7,10)(H,8,9)
InChIKeyJAWYOKYIIGXTKD-UHFFFAOYSA-N
XLogP-1.25
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-(methylamino)-2-oxoethoxy]prop-2-enamide?
The IUPAC name of 2-[2-(methylamino)-2-oxoethoxy]prop-2-enamide (CID 156729314) is 2-[2-(methylamino)-2-oxoethoxy]prop-2-enamide.
What is the SMILES notation for 2-[2-(methylamino)-2-oxoethoxy]prop-2-enamide?
The canonical SMILES for 2-[2-(methylamino)-2-oxoethoxy]prop-2-enamide is C=C(OCC(=O)NC)C(N)=O.
What is the InChIKey of 2-[2-(methylamino)-2-oxoethoxy]prop-2-enamide?
The InChIKey is JAWYOKYIIGXTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-4(6(7)10)11-3-5(9)8-2/h1,3H2,2H3,(H2,7,10)(H,8,9).
What are the key properties of 2-[2-(methylamino)-2-oxoethoxy]prop-2-enamide?
2-[2-(methylamino)-2-oxoethoxy]prop-2-enamide has a molecular weight of 158.16 g/mol, XLogP of -1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)-2-oxoethoxy]prop-2-enamide is sourced from PubChem (CID 156729314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).