1-(2,6-dimethylmorpholin-4-yl)propan-2-one

C9H17NO2 — CID 19920056

IUPAC1-(2,6-dimethylmorpholin-4-yl)propan-2-one
SMILESCC(=O)CN1CC(C)OC(C)C1
InChIInChI=1S/C9H17NO2/c1-7(11)4-10-5-8(2)12-9(3)6-10/h8-9H,4-6H2,1-3H3
InChIKeyFYKYYIZSTYSPHM-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.68
Rot. Bonds2

About 1-(2,6-dimethylmorpholin-4-yl)propan-2-one

1-(2,6-dimethylmorpholin-4-yl)propan-2-one (PubChem CID 19920056) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)propan-2-one
PubChem CID19920056
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)propan-2-one
SMILESCC(=O)CN1CC(C)OC(C)C1
InChIInChI=1S/C9H17NO2/c1-7(11)4-10-5-8(2)12-9(3)6-10/h8-9H,4-6H2,1-3H3
InChIKeyFYKYYIZSTYSPHM-UHFFFAOYSA-N
XLogP0.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)propan-2-one?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)propan-2-one (CID 19920056) is 1-(2,6-dimethylmorpholin-4-yl)propan-2-one.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)propan-2-one?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)propan-2-one is CC(=O)CN1CC(C)OC(C)C1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)propan-2-one?
The InChIKey is FYKYYIZSTYSPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(11)4-10-5-8(2)12-9(3)6-10/h8-9H,4-6H2,1-3H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)propan-2-one?
1-(2,6-dimethylmorpholin-4-yl)propan-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)propan-2-one is sourced from PubChem (CID 19920056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).