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

C8H13NO3 — CID 54395656

IUPACN-[2-(oxiran-2-ylmethoxy)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCC1CO1
InChIInChI=1S/C8H13NO3/c1-2-8(10)9-3-4-11-5-7-6-12-7/h2,7H,1,3-6H2,(H,9,10)
InChIKeyVJSUUTXHCOPJRS-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.30
Rot. Bonds6

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

N-[2-(oxiran-2-ylmethoxy)ethyl]prop-2-enamide (PubChem CID 54395656) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is N-[2-(oxiran-2-ylmethoxy)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(oxiran-2-ylmethoxy)ethyl]prop-2-enamide
PubChem CID54395656
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC NameN-[2-(oxiran-2-ylmethoxy)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOCC1CO1
InChIInChI=1S/C8H13NO3/c1-2-8(10)9-3-4-11-5-7-6-12-7/h2,7H,1,3-6H2,(H,9,10)
InChIKeyVJSUUTXHCOPJRS-UHFFFAOYSA-N
XLogP-0.30
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.30
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 N-[2-(oxiran-2-ylmethoxy)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(oxiran-2-ylmethoxy)ethyl]prop-2-enamide (CID 54395656) is N-[2-(oxiran-2-ylmethoxy)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(oxiran-2-ylmethoxy)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(oxiran-2-ylmethoxy)ethyl]prop-2-enamide is C=CC(=O)NCCOCC1CO1.
What is the InChIKey of N-[2-(oxiran-2-ylmethoxy)ethyl]prop-2-enamide?
The InChIKey is VJSUUTXHCOPJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-8(10)9-3-4-11-5-7-6-12-7/h2,7H,1,3-6H2,(H,9,10).
What are the key properties of N-[2-(oxiran-2-ylmethoxy)ethyl]prop-2-enamide?
N-[2-(oxiran-2-ylmethoxy)ethyl]prop-2-enamide has a molecular weight of 171.20 g/mol, XLogP of -0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxiran-2-ylmethoxy)ethyl]prop-2-enamide is sourced from PubChem (CID 54395656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).