2-methyl-N-[2-(oxiran-2-ylmethoxy)ethyl]prop-2-enamide

C9H15NO3 — CID 54112817

IUPAC2-methyl-N-[2-(oxiran-2-ylmethoxy)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCOCC1CO1
InChIInChI=1S/C9H15NO3/c1-7(2)9(11)10-3-4-12-5-8-6-13-8/h8H,1,3-6H2,2H3,(H,10,11)
InChIKeyNIGVMLNUSYMTDR-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.09
Rot. Bonds6

About 2-methyl-N-[2-(oxiran-2-ylmethoxy)ethyl]prop-2-enamide

2-methyl-N-[2-(oxiran-2-ylmethoxy)ethyl]prop-2-enamide (PubChem CID 54112817) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-methyl-N-[2-(oxiran-2-ylmethoxy)ethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-(oxiran-2-ylmethoxy)ethyl]prop-2-enamide
PubChem CID54112817
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-methyl-N-[2-(oxiran-2-ylmethoxy)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCOCC1CO1
InChIInChI=1S/C9H15NO3/c1-7(2)9(11)10-3-4-12-5-8-6-13-8/h8H,1,3-6H2,2H3,(H,10,11)
InChIKeyNIGVMLNUSYMTDR-UHFFFAOYSA-N
XLogP0.09
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.09
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(oxiran-2-ylmethoxy)ethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-(oxiran-2-ylmethoxy)ethyl]prop-2-enamide (CID 54112817) is 2-methyl-N-[2-(oxiran-2-ylmethoxy)ethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-(oxiran-2-ylmethoxy)ethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-(oxiran-2-ylmethoxy)ethyl]prop-2-enamide is C=C(C)C(=O)NCCOCC1CO1.
What is the InChIKey of 2-methyl-N-[2-(oxiran-2-ylmethoxy)ethyl]prop-2-enamide?
The InChIKey is NIGVMLNUSYMTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-7(2)9(11)10-3-4-12-5-8-6-13-8/h8H,1,3-6H2,2H3,(H,10,11).
What are the key properties of 2-methyl-N-[2-(oxiran-2-ylmethoxy)ethyl]prop-2-enamide?
2-methyl-N-[2-(oxiran-2-ylmethoxy)ethyl]prop-2-enamide has a molecular weight of 185.22 g/mol, XLogP of 0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(oxiran-2-ylmethoxy)ethyl]prop-2-enamide is sourced from PubChem (CID 54112817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).