1-[1-(2-propan-2-ylmorpholin-4-yl)cyclopropyl]ethanone

C12H21NO2 — CID 58469536

IUPAC1-[1-(2-propan-2-ylmorpholin-4-yl)cyclopropyl]ethanone
SMILESCC(=O)C1(N2CCOC(C(C)C)C2)CC1
InChIInChI=1S/C12H21NO2/c1-9(2)11-8-13(6-7-15-11)12(4-5-12)10(3)14/h9,11H,4-8H2,1-3H3
InChIKeyQSHUPHTUABLEEL-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.46
Rot. Bonds3

About 1-[1-(2-propan-2-ylmorpholin-4-yl)cyclopropyl]ethanone

1-[1-(2-propan-2-ylmorpholin-4-yl)cyclopropyl]ethanone (PubChem CID 58469536) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-[1-(2-propan-2-ylmorpholin-4-yl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-(2-propan-2-ylmorpholin-4-yl)cyclopropyl]ethanone
PubChem CID58469536
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name1-[1-(2-propan-2-ylmorpholin-4-yl)cyclopropyl]ethanone
SMILESCC(=O)C1(N2CCOC(C(C)C)C2)CC1
InChIInChI=1S/C12H21NO2/c1-9(2)11-8-13(6-7-15-11)12(4-5-12)10(3)14/h9,11H,4-8H2,1-3H3
InChIKeyQSHUPHTUABLEEL-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 ≤ 500211.31
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-[1-(2-propan-2-ylmorpholin-4-yl)cyclopropyl]ethanone?
The IUPAC name of 1-[1-(2-propan-2-ylmorpholin-4-yl)cyclopropyl]ethanone (CID 58469536) is 1-[1-(2-propan-2-ylmorpholin-4-yl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-(2-propan-2-ylmorpholin-4-yl)cyclopropyl]ethanone?
The canonical SMILES for 1-[1-(2-propan-2-ylmorpholin-4-yl)cyclopropyl]ethanone is CC(=O)C1(N2CCOC(C(C)C)C2)CC1.
What is the InChIKey of 1-[1-(2-propan-2-ylmorpholin-4-yl)cyclopropyl]ethanone?
The InChIKey is QSHUPHTUABLEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(2)11-8-13(6-7-15-11)12(4-5-12)10(3)14/h9,11H,4-8H2,1-3H3.
What are the key properties of 1-[1-(2-propan-2-ylmorpholin-4-yl)cyclopropyl]ethanone?
1-[1-(2-propan-2-ylmorpholin-4-yl)cyclopropyl]ethanone has a molecular weight of 211.31 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-[1-(2-propan-2-ylmorpholin-4-yl)cyclopropyl]ethanone is sourced from PubChem (CID 58469536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).