(3R)-3-cyclohexyl-1-morpholin-4-ylbutan-1-one

C14H25NO2 — CID 134968976

IUPAC(3R)-3-cyclohexyl-1-morpholin-4-ylbutan-1-one
SMILESC[C@H](CC(=O)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C14H25NO2/c1-12(13-5-3-2-4-6-13)11-14(16)15-7-9-17-10-8-15/h12-13H,2-11H2,1H3/t12-/m1/s1
InChIKeyQCVCVXUDJVPLCL-GFCCVEGCSA-N
MW239.36 g/mol
LogP2.45
Rot. Bonds3

About (3R)-3-cyclohexyl-1-morpholin-4-ylbutan-1-one

(3R)-3-cyclohexyl-1-morpholin-4-ylbutan-1-one (PubChem CID 134968976) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (3R)-3-cyclohexyl-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name(3R)-3-cyclohexyl-1-morpholin-4-ylbutan-1-one
PubChem CID134968976
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(3R)-3-cyclohexyl-1-morpholin-4-ylbutan-1-one
SMILESC[C@H](CC(=O)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C14H25NO2/c1-12(13-5-3-2-4-6-13)11-14(16)15-7-9-17-10-8-15/h12-13H,2-11H2,1H3/t12-/m1/s1
InChIKeyQCVCVXUDJVPLCL-GFCCVEGCSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclohexyl-1-morpholin-4-ylbutan-1-one?
The IUPAC name of (3R)-3-cyclohexyl-1-morpholin-4-ylbutan-1-one (CID 134968976) is (3R)-3-cyclohexyl-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for (3R)-3-cyclohexyl-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for (3R)-3-cyclohexyl-1-morpholin-4-ylbutan-1-one is C[C@H](CC(=O)N1CCOCC1)C1CCCCC1.
What is the InChIKey of (3R)-3-cyclohexyl-1-morpholin-4-ylbutan-1-one?
The InChIKey is QCVCVXUDJVPLCL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25NO2/c1-12(13-5-3-2-4-6-13)11-14(16)15-7-9-17-10-8-15/h12-13H,2-11H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-3-cyclohexyl-1-morpholin-4-ylbutan-1-one?
(3R)-3-cyclohexyl-1-morpholin-4-ylbutan-1-one has a molecular weight of 239.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclohexyl-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 134968976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).