4-methyl-1-morpholin-4-ylhexan-3-one

C11H21NO2 — CID 162432355

IUPAC4-methyl-1-morpholin-4-ylhexan-3-one
SMILESCCC(C)C(=O)CCN1CCOCC1
InChIInChI=1S/C11H21NO2/c1-3-10(2)11(13)4-5-12-6-8-14-9-7-12/h10H,3-9H2,1-2H3
InChIKeyMULHLMDDMVEFSS-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.32
Rot. Bonds5

About 4-methyl-1-morpholin-4-ylhexan-3-one

4-methyl-1-morpholin-4-ylhexan-3-one (PubChem CID 162432355) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-methyl-1-morpholin-4-ylhexan-3-one.

Molecular Properties

Compound Name4-methyl-1-morpholin-4-ylhexan-3-one
PubChem CID162432355
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-methyl-1-morpholin-4-ylhexan-3-one
SMILESCCC(C)C(=O)CCN1CCOCC1
InChIInChI=1S/C11H21NO2/c1-3-10(2)11(13)4-5-12-6-8-14-9-7-12/h10H,3-9H2,1-2H3
InChIKeyMULHLMDDMVEFSS-UHFFFAOYSA-N
XLogP1.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclohexanone, 2-(morpholinomethyl)-, hydrochloride
CID 216514
2-(Morpholinomethyl)cyclohexanone
CID 216515
4-Piperidinone, 1-(2-ethoxyethyl)-3-methyl-, hydrochloride (1:1)
CID 3066145
6-((2-Methoxyethyl)(methyl)amino)-2-methylhexan-3-one
CID 156498079
2-(4-Morpholinylmethyl)cyclopentanone hydrochloride
CID 382863
1-(2-Ethoxyethyl)-3-methylpiperidin-4-one
CID 3066146
1-(2-Ethoxyethyl)piperidin-4-one
CID 15410842
2-(Morpholinomethyl)cyclododecanone
CID 376400
2-[(2,6-Dimethylmorpholin-4-yl)methyl]cyclododecan-1-one
CID 305276
1-(2-Hydroxyethyl)-2,3-dimethylpiperidin-4-one
CID 4434992
Cyclopentanone, 2-(4-morpholinylmethyl)-
CID 382864
4-Methyl-5-morpholino-pentane-2-one
CID 129771205

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-morpholin-4-ylhexan-3-one?
The IUPAC name of 4-methyl-1-morpholin-4-ylhexan-3-one (CID 162432355) is 4-methyl-1-morpholin-4-ylhexan-3-one.
What is the SMILES notation for 4-methyl-1-morpholin-4-ylhexan-3-one?
The canonical SMILES for 4-methyl-1-morpholin-4-ylhexan-3-one is CCC(C)C(=O)CCN1CCOCC1.
What is the InChIKey of 4-methyl-1-morpholin-4-ylhexan-3-one?
The InChIKey is MULHLMDDMVEFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-10(2)11(13)4-5-12-6-8-14-9-7-12/h10H,3-9H2,1-2H3.
What are the key properties of 4-methyl-1-morpholin-4-ylhexan-3-one?
4-methyl-1-morpholin-4-ylhexan-3-one has a molecular weight of 199.29 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-morpholin-4-ylhexan-3-one is sourced from PubChem (CID 162432355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).