1-cyclopropyl-2-(2,2,6-trimethylmorpholin-4-yl)ethanone

C12H21NO2 — CID 63912575

IUPAC1-cyclopropyl-2-(2,2,6-trimethylmorpholin-4-yl)ethanone
SMILESCC1CN(CC(=O)C2CC2)CC(C)(C)O1
InChIInChI=1S/C12H21NO2/c1-9-6-13(8-12(2,3)15-9)7-11(14)10-4-5-10/h9-10H,4-8H2,1-3H3
InChIKeyZGJBQSZEIABAGX-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.46
Rot. Bonds3

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

1-cyclopropyl-2-(2,2,6-trimethylmorpholin-4-yl)ethanone (PubChem CID 63912575) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2,2,6-trimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(2,2,6-trimethylmorpholin-4-yl)ethanone
PubChem CID63912575
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-cyclopropyl-2-(2,2,6-trimethylmorpholin-4-yl)ethanone
SMILESCC1CN(CC(=O)C2CC2)CC(C)(C)O1
InChIInChI=1S/C12H21NO2/c1-9-6-13(8-12(2,3)15-9)7-11(14)10-4-5-10/h9-10H,4-8H2,1-3H3
InChIKeyZGJBQSZEIABAGX-UHFFFAOYSA-N
XLogP1.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2,2,6-trimethylmorpholin-4-yl)ethanone?
The IUPAC name of 1-cyclopropyl-2-(2,2,6-trimethylmorpholin-4-yl)ethanone (CID 63912575) is 1-cyclopropyl-2-(2,2,6-trimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(2,2,6-trimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(2,2,6-trimethylmorpholin-4-yl)ethanone is CC1CN(CC(=O)C2CC2)CC(C)(C)O1.
What is the InChIKey of 1-cyclopropyl-2-(2,2,6-trimethylmorpholin-4-yl)ethanone?
The InChIKey is ZGJBQSZEIABAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9-6-13(8-12(2,3)15-9)7-11(14)10-4-5-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-cyclopropyl-2-(2,2,6-trimethylmorpholin-4-yl)ethanone?
1-cyclopropyl-2-(2,2,6-trimethylmorpholin-4-yl)ethanone has a molecular weight of 211.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2,2,6-trimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 63912575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).