2-(5-ethyl-2-methylmorpholin-4-yl)cycloheptan-1-one

C14H25NO2 — CID 60862936

IUPAC2-(5-ethyl-2-methylmorpholin-4-yl)cycloheptan-1-one
SMILESCCC1COC(C)CN1C1CCCCCC1=O
InChIInChI=1S/C14H25NO2/c1-3-12-10-17-11(2)9-15(12)13-7-5-4-6-8-14(13)16/h11-13H,3-10H2,1-2H3
InChIKeyDWSPMNBQOAELQC-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.39
Rot. Bonds2

About 2-(5-ethyl-2-methylmorpholin-4-yl)cycloheptan-1-one

2-(5-ethyl-2-methylmorpholin-4-yl)cycloheptan-1-one (PubChem CID 60862936) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(5-ethyl-2-methylmorpholin-4-yl)cycloheptan-1-one.

Molecular Properties

Compound Name2-(5-ethyl-2-methylmorpholin-4-yl)cycloheptan-1-one
PubChem CID60862936
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-(5-ethyl-2-methylmorpholin-4-yl)cycloheptan-1-one
SMILESCCC1COC(C)CN1C1CCCCCC1=O
InChIInChI=1S/C14H25NO2/c1-3-12-10-17-11(2)9-15(12)13-7-5-4-6-8-14(13)16/h11-13H,3-10H2,1-2H3
InChIKeyDWSPMNBQOAELQC-UHFFFAOYSA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)cycloheptan-1-one?
The IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)cycloheptan-1-one (CID 60862936) is 2-(5-ethyl-2-methylmorpholin-4-yl)cycloheptan-1-one.
What is the SMILES notation for 2-(5-ethyl-2-methylmorpholin-4-yl)cycloheptan-1-one?
The canonical SMILES for 2-(5-ethyl-2-methylmorpholin-4-yl)cycloheptan-1-one is CCC1COC(C)CN1C1CCCCCC1=O.
What is the InChIKey of 2-(5-ethyl-2-methylmorpholin-4-yl)cycloheptan-1-one?
The InChIKey is DWSPMNBQOAELQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-12-10-17-11(2)9-15(12)13-7-5-4-6-8-14(13)16/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-(5-ethyl-2-methylmorpholin-4-yl)cycloheptan-1-one?
2-(5-ethyl-2-methylmorpholin-4-yl)cycloheptan-1-one has a molecular weight of 239.36 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methylmorpholin-4-yl)cycloheptan-1-one is sourced from PubChem (CID 60862936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).