2-(prop-2-enylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone

C12H22N2O2 — CID 79278553

IUPAC2-(prop-2-enylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
SMILESC=CCNCC(=O)N1CC(C)OC(C)(C)C1
InChIInChI=1S/C12H22N2O2/c1-5-6-13-7-11(15)14-8-10(2)16-12(3,4)9-14/h5,10,13H,1,6-9H2,2-4H3
InChIKeyKQZVCIFUTTWORY-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.79
Rot. Bonds4

About 2-(prop-2-enylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone

2-(prop-2-enylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone (PubChem CID 79278553) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(prop-2-enylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(prop-2-enylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
PubChem CID79278553
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(prop-2-enylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
SMILESC=CCNCC(=O)N1CC(C)OC(C)(C)C1
InChIInChI=1S/C12H22N2O2/c1-5-6-13-7-11(15)14-8-10(2)16-12(3,4)9-14/h5,10,13H,1,6-9H2,2-4H3
InChIKeyKQZVCIFUTTWORY-UHFFFAOYSA-N
XLogP0.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.79
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(prop-2-enylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone (CID 79278553) is 2-(prop-2-enylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(prop-2-enylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(prop-2-enylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone is C=CCNCC(=O)N1CC(C)OC(C)(C)C1.
What is the InChIKey of 2-(prop-2-enylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone?
The InChIKey is KQZVCIFUTTWORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-6-13-7-11(15)14-8-10(2)16-12(3,4)9-14/h5,10,13H,1,6-9H2,2-4H3.
What are the key properties of 2-(prop-2-enylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone?
2-(prop-2-enylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone has a molecular weight of 226.32 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 79278553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).