N-ethyl-N-(oxiran-2-ylmethyl)prop-2-enamide

C8H13NO2 — CID 23508653

IUPACN-ethyl-N-(oxiran-2-ylmethyl)prop-2-enamide
SMILESC=CC(=O)N(CC)CC1CO1
InChIInChI=1S/C8H13NO2/c1-3-8(10)9(4-2)5-7-6-11-7/h3,7H,1,4-6H2,2H3
InChIKeyDYLPIBMRNFSICX-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.42
Rot. Bonds4

About N-ethyl-N-(oxiran-2-ylmethyl)prop-2-enamide

N-ethyl-N-(oxiran-2-ylmethyl)prop-2-enamide (PubChem CID 23508653) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-ethyl-N-(oxiran-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-(oxiran-2-ylmethyl)prop-2-enamide
PubChem CID23508653
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-ethyl-N-(oxiran-2-ylmethyl)prop-2-enamide
SMILESC=CC(=O)N(CC)CC1CO1
InChIInChI=1S/C8H13NO2/c1-3-8(10)9(4-2)5-7-6-11-7/h3,7H,1,4-6H2,2H3
InChIKeyDYLPIBMRNFSICX-UHFFFAOYSA-N
XLogP0.42
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.42
H-Bond Donors ≤ 50
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-ethyl-N-(oxiran-2-ylmethyl)prop-2-enamide?
The IUPAC name of N-ethyl-N-(oxiran-2-ylmethyl)prop-2-enamide (CID 23508653) is N-ethyl-N-(oxiran-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-ethyl-N-(oxiran-2-ylmethyl)prop-2-enamide?
The canonical SMILES for N-ethyl-N-(oxiran-2-ylmethyl)prop-2-enamide is C=CC(=O)N(CC)CC1CO1.
What is the InChIKey of N-ethyl-N-(oxiran-2-ylmethyl)prop-2-enamide?
The InChIKey is DYLPIBMRNFSICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-8(10)9(4-2)5-7-6-11-7/h3,7H,1,4-6H2,2H3.
What are the key properties of N-ethyl-N-(oxiran-2-ylmethyl)prop-2-enamide?
N-ethyl-N-(oxiran-2-ylmethyl)prop-2-enamide has a molecular weight of 155.20 g/mol, XLogP of 0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxiran-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 23508653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).