2-methyl-N-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylprop-2-enamide

C11H17NO2 — CID 88653561

IUPAC2-methyl-N-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CC1(C)CO1)C(=O)C(=C)C
InChIInChI=1S/C11H17NO2/c1-5-6-12(10(13)9(2)3)7-11(4)8-14-11/h5H,1-2,6-8H2,3-4H3
InChIKeyRRUVKUFPYZLSFF-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.37
Rot. Bonds5

About 2-methyl-N-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylprop-2-enamide

2-methyl-N-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylprop-2-enamide (PubChem CID 88653561) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylprop-2-enamide
PubChem CID88653561
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-methyl-N-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CC1(C)CO1)C(=O)C(=C)C
InChIInChI=1S/C11H17NO2/c1-5-6-12(10(13)9(2)3)7-11(4)8-14-11/h5H,1-2,6-8H2,3-4H3
InChIKeyRRUVKUFPYZLSFF-UHFFFAOYSA-N
XLogP1.37
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.37
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-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylprop-2-enamide?
The IUPAC name of 2-methyl-N-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylprop-2-enamide (CID 88653561) is 2-methyl-N-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for 2-methyl-N-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylprop-2-enamide?
The canonical SMILES for 2-methyl-N-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylprop-2-enamide is C=CCN(CC1(C)CO1)C(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylprop-2-enamide?
The InChIKey is RRUVKUFPYZLSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-5-6-12(10(13)9(2)3)7-11(4)8-14-11/h5H,1-2,6-8H2,3-4H3.
What are the key properties of 2-methyl-N-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylprop-2-enamide?
2-methyl-N-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylprop-2-enamide has a molecular weight of 195.26 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 88653561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).