N-ethyl-3-(3-methyloxiran-2-yl)prop-2-enamide

C8H13NO2 — CID 71366626

IUPACN-ethyl-3-(3-methyloxiran-2-yl)prop-2-enamide
SMILESCCNC(=O)C=CC1OC1C
InChIInChI=1S/C8H13NO2/c1-3-9-8(10)5-4-7-6(2)11-7/h4-7H,3H2,1-2H3,(H,9,10)
InChIKeyZKDWTBQDKHYGKX-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.47
Rot. Bonds3

About N-ethyl-3-(3-methyloxiran-2-yl)prop-2-enamide

N-ethyl-3-(3-methyloxiran-2-yl)prop-2-enamide (PubChem CID 71366626) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-ethyl-3-(3-methyloxiran-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-3-(3-methyloxiran-2-yl)prop-2-enamide
PubChem CID71366626
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-ethyl-3-(3-methyloxiran-2-yl)prop-2-enamide
SMILESCCNC(=O)C=CC1OC1C
InChIInChI=1S/C8H13NO2/c1-3-9-8(10)5-4-7-6(2)11-7/h4-7H,3H2,1-2H3,(H,9,10)
InChIKeyZKDWTBQDKHYGKX-UHFFFAOYSA-N
XLogP0.47
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.47
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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Related Compounds

(E)-N,N'-diethylbut-2-enediamide
CID 22015135
ethyl (E)-3-(3-methyloxiran-2-yl)prop-2-enoate
CID 6156658
(E)-3-cyclobutyl-N-ethylprop-2-enamide
CID 131232424
(Z)-N-ethyl-4-oxohex-2-enamide
CID 88554244
(Z)-3-cyano-N-ethylprop-2-enamide
CID 166882197
2-but-1-enyl-3-methyloxirane
CID 57303874
[3-(ethylamino)-3-oxoprop-1-enyl] 2-methylprop-2-enoate
CID 151233614
N-ethyl-2,4,5-trimethyloxolane-3-carboxamide
CID 65155196
N-ethylprop-2-enamide;N-methylmethanamine
CID 22381553
(Z)-3-chloro-N-ethylbut-2-enamide
CID 55286817
N-ethylprop-2-enamide;N-methylprop-2-enamide;2-methylprop-1-ene
CID 91512805
(E)-N-ethyl-3-pyridin-4-ylprop-2-enamide
CID 131236538

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-methyloxiran-2-yl)prop-2-enamide?
The IUPAC name of N-ethyl-3-(3-methyloxiran-2-yl)prop-2-enamide (CID 71366626) is N-ethyl-3-(3-methyloxiran-2-yl)prop-2-enamide.
What is the SMILES notation for N-ethyl-3-(3-methyloxiran-2-yl)prop-2-enamide?
The canonical SMILES for N-ethyl-3-(3-methyloxiran-2-yl)prop-2-enamide is CCNC(=O)C=CC1OC1C.
What is the InChIKey of N-ethyl-3-(3-methyloxiran-2-yl)prop-2-enamide?
The InChIKey is ZKDWTBQDKHYGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-9-8(10)5-4-7-6(2)11-7/h4-7H,3H2,1-2H3,(H,9,10).
What are the key properties of N-ethyl-3-(3-methyloxiran-2-yl)prop-2-enamide?
N-ethyl-3-(3-methyloxiran-2-yl)prop-2-enamide has a molecular weight of 155.20 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-methyloxiran-2-yl)prop-2-enamide is sourced from PubChem (CID 71366626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).