N-[2-(oxiran-2-yl)ethyl]prop-2-enamide

C7H11NO2 — CID 57275341

IUPACN-[2-(oxiran-2-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCC1CO1
InChIInChI=1S/C7H11NO2/c1-2-7(9)8-4-3-6-5-10-6/h2,6H,1,3-5H2,(H,8,9)
InChIKeyWPIYIVSBTMFFFE-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.08
Rot. Bonds4

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

N-[2-(oxiran-2-yl)ethyl]prop-2-enamide (PubChem CID 57275341) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is N-[2-(oxiran-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(oxiran-2-yl)ethyl]prop-2-enamide
PubChem CID57275341
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC NameN-[2-(oxiran-2-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCC1CO1
InChIInChI=1S/C7H11NO2/c1-2-7(9)8-4-3-6-5-10-6/h2,6H,1,3-5H2,(H,8,9)
InChIKeyWPIYIVSBTMFFFE-UHFFFAOYSA-N
XLogP0.08
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 N-[2-(oxiran-2-yl)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(oxiran-2-yl)ethyl]prop-2-enamide (CID 57275341) is N-[2-(oxiran-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(oxiran-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(oxiran-2-yl)ethyl]prop-2-enamide is C=CC(=O)NCCC1CO1.
What is the InChIKey of N-[2-(oxiran-2-yl)ethyl]prop-2-enamide?
The InChIKey is WPIYIVSBTMFFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-7(9)8-4-3-6-5-10-6/h2,6H,1,3-5H2,(H,8,9).
What are the key properties of N-[2-(oxiran-2-yl)ethyl]prop-2-enamide?
N-[2-(oxiran-2-yl)ethyl]prop-2-enamide has a molecular weight of 141.17 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxiran-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 57275341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).