1-(2,2-dimethylmorpholin-4-yl)-2-(prop-2-enylamino)ethanone

C11H20N2O2 — CID 79285661

IUPAC1-(2,2-dimethylmorpholin-4-yl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C11H20N2O2/c1-4-5-12-8-10(14)13-6-7-15-11(2,3)9-13/h4,12H,1,5-9H2,2-3H3
InChIKeyNUWKSOQVQJRULG-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.40
Rot. Bonds4

About 1-(2,2-dimethylmorpholin-4-yl)-2-(prop-2-enylamino)ethanone

1-(2,2-dimethylmorpholin-4-yl)-2-(prop-2-enylamino)ethanone (PubChem CID 79285661) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(2,2-dimethylmorpholin-4-yl)-2-(prop-2-enylamino)ethanone.

Molecular Properties

Compound Name1-(2,2-dimethylmorpholin-4-yl)-2-(prop-2-enylamino)ethanone
PubChem CID79285661
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(2,2-dimethylmorpholin-4-yl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C11H20N2O2/c1-4-5-12-8-10(14)13-6-7-15-11(2,3)9-13/h4,12H,1,5-9H2,2-3H3
InChIKeyNUWKSOQVQJRULG-UHFFFAOYSA-N
XLogP0.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(2,2-dimethylmorpholin-4-yl)-2-(prop-2-enylamino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)-2-(prop-2-enylamino)ethanone?
The IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)-2-(prop-2-enylamino)ethanone (CID 79285661) is 1-(2,2-dimethylmorpholin-4-yl)-2-(prop-2-enylamino)ethanone.
What is the SMILES notation for 1-(2,2-dimethylmorpholin-4-yl)-2-(prop-2-enylamino)ethanone?
The canonical SMILES for 1-(2,2-dimethylmorpholin-4-yl)-2-(prop-2-enylamino)ethanone is C=CCNCC(=O)N1CCOC(C)(C)C1.
What is the InChIKey of 1-(2,2-dimethylmorpholin-4-yl)-2-(prop-2-enylamino)ethanone?
The InChIKey is NUWKSOQVQJRULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-5-12-8-10(14)13-6-7-15-11(2,3)9-13/h4,12H,1,5-9H2,2-3H3.
What are the key properties of 1-(2,2-dimethylmorpholin-4-yl)-2-(prop-2-enylamino)ethanone?
1-(2,2-dimethylmorpholin-4-yl)-2-(prop-2-enylamino)ethanone has a molecular weight of 212.29 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylmorpholin-4-yl)-2-(prop-2-enylamino)ethanone is sourced from PubChem (CID 79285661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).