5-(morpholin-4-ylmethyl)octan-4-one

C13H25NO2 — CID 91179978

IUPAC5-(morpholin-4-ylmethyl)octan-4-one
SMILESCCCC(=O)C(CCC)CN1CCOCC1
InChIInChI=1S/C13H25NO2/c1-3-5-12(13(15)6-4-2)11-14-7-9-16-10-8-14/h12H,3-11H2,1-2H3
InChIKeyYOVTXNHOQDPZLB-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.10
Rot. Bonds7

About 5-(morpholin-4-ylmethyl)octan-4-one

5-(morpholin-4-ylmethyl)octan-4-one (PubChem CID 91179978) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 5-(morpholin-4-ylmethyl)octan-4-one.

Molecular Properties

Compound Name5-(morpholin-4-ylmethyl)octan-4-one
PubChem CID91179978
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name5-(morpholin-4-ylmethyl)octan-4-one
SMILESCCCC(=O)C(CCC)CN1CCOCC1
InChIInChI=1S/C13H25NO2/c1-3-5-12(13(15)6-4-2)11-14-7-9-16-10-8-14/h12H,3-11H2,1-2H3
InChIKeyYOVTXNHOQDPZLB-UHFFFAOYSA-N
XLogP2.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(morpholin-4-ylmethyl)octan-4-one?
The IUPAC name of 5-(morpholin-4-ylmethyl)octan-4-one (CID 91179978) is 5-(morpholin-4-ylmethyl)octan-4-one.
What is the SMILES notation for 5-(morpholin-4-ylmethyl)octan-4-one?
The canonical SMILES for 5-(morpholin-4-ylmethyl)octan-4-one is CCCC(=O)C(CCC)CN1CCOCC1.
What is the InChIKey of 5-(morpholin-4-ylmethyl)octan-4-one?
The InChIKey is YOVTXNHOQDPZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-5-12(13(15)6-4-2)11-14-7-9-16-10-8-14/h12H,3-11H2,1-2H3.
What are the key properties of 5-(morpholin-4-ylmethyl)octan-4-one?
5-(morpholin-4-ylmethyl)octan-4-one has a molecular weight of 227.35 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholin-4-ylmethyl)octan-4-one is sourced from PubChem (CID 91179978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).