6-morpholin-4-ylhexan-3-one

C10H19NO2 — CID 79428804

IUPAC6-morpholin-4-ylhexan-3-one
SMILESCCC(=O)CCCN1CCOCC1
InChIInChI=1S/C10H19NO2/c1-2-10(12)4-3-5-11-6-8-13-9-7-11/h2-9H2,1H3
InChIKeyPEZZVWURPYJSAJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.08
Rot. Bonds5

About 6-morpholin-4-ylhexan-3-one

6-morpholin-4-ylhexan-3-one (PubChem CID 79428804) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 6-morpholin-4-ylhexan-3-one.

Molecular Properties

Compound Name6-morpholin-4-ylhexan-3-one
PubChem CID79428804
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name6-morpholin-4-ylhexan-3-one
SMILESCCC(=O)CCCN1CCOCC1
InChIInChI=1S/C10H19NO2/c1-2-10(12)4-3-5-11-6-8-13-9-7-11/h2-9H2,1H3
InChIKeyPEZZVWURPYJSAJ-UHFFFAOYSA-N
XLogP1.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-ylhexan-3-one?
The IUPAC name of 6-morpholin-4-ylhexan-3-one (CID 79428804) is 6-morpholin-4-ylhexan-3-one.
What is the SMILES notation for 6-morpholin-4-ylhexan-3-one?
The canonical SMILES for 6-morpholin-4-ylhexan-3-one is CCC(=O)CCCN1CCOCC1.
What is the InChIKey of 6-morpholin-4-ylhexan-3-one?
The InChIKey is PEZZVWURPYJSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-10(12)4-3-5-11-6-8-13-9-7-11/h2-9H2,1H3.
What are the key properties of 6-morpholin-4-ylhexan-3-one?
6-morpholin-4-ylhexan-3-one has a molecular weight of 185.27 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-ylhexan-3-one is sourced from PubChem (CID 79428804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).