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

C13H23NO2 — CID 60864526

IUPAC2-(2,2-dimethylmorpholin-4-yl)cycloheptan-1-one
SMILESCC1(C)CN(C2CCCCCC2=O)CCO1
InChIInChI=1S/C13H23NO2/c1-13(2)10-14(8-9-16-13)11-6-4-3-5-7-12(11)15/h11H,3-10H2,1-2H3
InChIKeyNGGCDZNFSWICRR-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.00
Rot. Bonds1

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

2-(2,2-dimethylmorpholin-4-yl)cycloheptan-1-one (PubChem CID 60864526) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-(2,2-dimethylmorpholin-4-yl)cycloheptan-1-one.

Molecular Properties

Compound Name2-(2,2-dimethylmorpholin-4-yl)cycloheptan-1-one
PubChem CID60864526
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-(2,2-dimethylmorpholin-4-yl)cycloheptan-1-one
SMILESCC1(C)CN(C2CCCCCC2=O)CCO1
InChIInChI=1S/C13H23NO2/c1-13(2)10-14(8-9-16-13)11-6-4-3-5-7-12(11)15/h11H,3-10H2,1-2H3
InChIKeyNGGCDZNFSWICRR-UHFFFAOYSA-N
XLogP2.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)cycloheptan-1-one?
The IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)cycloheptan-1-one (CID 60864526) is 2-(2,2-dimethylmorpholin-4-yl)cycloheptan-1-one.
What is the SMILES notation for 2-(2,2-dimethylmorpholin-4-yl)cycloheptan-1-one?
The canonical SMILES for 2-(2,2-dimethylmorpholin-4-yl)cycloheptan-1-one is CC1(C)CN(C2CCCCCC2=O)CCO1.
What is the InChIKey of 2-(2,2-dimethylmorpholin-4-yl)cycloheptan-1-one?
The InChIKey is NGGCDZNFSWICRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(2)10-14(8-9-16-13)11-6-4-3-5-7-12(11)15/h11H,3-10H2,1-2H3.
What are the key properties of 2-(2,2-dimethylmorpholin-4-yl)cycloheptan-1-one?
2-(2,2-dimethylmorpholin-4-yl)cycloheptan-1-one has a molecular weight of 225.33 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylmorpholin-4-yl)cycloheptan-1-one is sourced from PubChem (CID 60864526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).