2-methyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylprop-2-enamide

C10H15NO2 — CID 71412921

IUPAC2-methyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CC1CO1)C(=O)C(=C)C
InChIInChI=1S/C10H15NO2/c1-4-5-11(6-9-7-13-9)10(12)8(2)3/h4,9H,1-2,5-7H2,3H3
InChIKeyUEYWWQXRNCQSBO-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.98
Rot. Bonds5

About 2-methyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylprop-2-enamide

2-methyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylprop-2-enamide (PubChem CID 71412921) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-methyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylprop-2-enamide
PubChem CID71412921
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-methyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CC1CO1)C(=O)C(=C)C
InChIInChI=1S/C10H15NO2/c1-4-5-11(6-9-7-13-9)10(12)8(2)3/h4,9H,1-2,5-7H2,3H3
InChIKeyUEYWWQXRNCQSBO-UHFFFAOYSA-N
XLogP0.98
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-(oxiran-2-ylmethyl)-N-prop-2-enylprop-2-enamide?
The IUPAC name of 2-methyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylprop-2-enamide (CID 71412921) is 2-methyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for 2-methyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylprop-2-enamide?
The canonical SMILES for 2-methyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylprop-2-enamide is C=CCN(CC1CO1)C(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylprop-2-enamide?
The InChIKey is UEYWWQXRNCQSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-5-11(6-9-7-13-9)10(12)8(2)3/h4,9H,1-2,5-7H2,3H3.
What are the key properties of 2-methyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylprop-2-enamide?
2-methyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylprop-2-enamide has a molecular weight of 181.23 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxiran-2-ylmethyl)-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 71412921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).