4-(2,2-dimethylmorpholin-4-yl)cyclohexan-1-one

C12H21NO2 — CID 114762064

IUPAC4-(2,2-dimethylmorpholin-4-yl)cyclohexan-1-one
SMILESCC1(C)CN(C2CCC(=O)CC2)CCO1
InChIInChI=1S/C12H21NO2/c1-12(2)9-13(7-8-15-12)10-3-5-11(14)6-4-10/h10H,3-9H2,1-2H3
InChIKeyFSHQADWPLXTZII-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.61
Rot. Bonds1

About 4-(2,2-dimethylmorpholin-4-yl)cyclohexan-1-one

4-(2,2-dimethylmorpholin-4-yl)cyclohexan-1-one (PubChem CID 114762064) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 4-(2,2-dimethylmorpholin-4-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(2,2-dimethylmorpholin-4-yl)cyclohexan-1-one
PubChem CID114762064
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name4-(2,2-dimethylmorpholin-4-yl)cyclohexan-1-one
SMILESCC1(C)CN(C2CCC(=O)CC2)CCO1
InChIInChI=1S/C12H21NO2/c1-12(2)9-13(7-8-15-12)10-3-5-11(14)6-4-10/h10H,3-9H2,1-2H3
InChIKeyFSHQADWPLXTZII-UHFFFAOYSA-N
XLogP1.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylmorpholin-4-yl)cyclohexan-1-one?
The IUPAC name of 4-(2,2-dimethylmorpholin-4-yl)cyclohexan-1-one (CID 114762064) is 4-(2,2-dimethylmorpholin-4-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(2,2-dimethylmorpholin-4-yl)cyclohexan-1-one?
The canonical SMILES for 4-(2,2-dimethylmorpholin-4-yl)cyclohexan-1-one is CC1(C)CN(C2CCC(=O)CC2)CCO1.
What is the InChIKey of 4-(2,2-dimethylmorpholin-4-yl)cyclohexan-1-one?
The InChIKey is FSHQADWPLXTZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(2)9-13(7-8-15-12)10-3-5-11(14)6-4-10/h10H,3-9H2,1-2H3.
What are the key properties of 4-(2,2-dimethylmorpholin-4-yl)cyclohexan-1-one?
4-(2,2-dimethylmorpholin-4-yl)cyclohexan-1-one has a molecular weight of 211.30 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylmorpholin-4-yl)cyclohexan-1-one is sourced from PubChem (CID 114762064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).