4-methyl-1-morpholin-4-ylpentan-2-one

C10H19NO2 — CID 12595887

IUPAC4-methyl-1-morpholin-4-ylpentan-2-one
SMILESCC(C)CC(=O)CN1CCOCC1
InChIInChI=1S/C10H19NO2/c1-9(2)7-10(12)8-11-3-5-13-6-4-11/h9H,3-8H2,1-2H3
InChIKeyBJUGQLUGWAXWOY-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.93
Rot. Bonds4

About 4-methyl-1-morpholin-4-ylpentan-2-one

4-methyl-1-morpholin-4-ylpentan-2-one (PubChem CID 12595887) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-methyl-1-morpholin-4-ylpentan-2-one.

Molecular Properties

Compound Name4-methyl-1-morpholin-4-ylpentan-2-one
PubChem CID12595887
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-methyl-1-morpholin-4-ylpentan-2-one
SMILESCC(C)CC(=O)CN1CCOCC1
InChIInChI=1S/C10H19NO2/c1-9(2)7-10(12)8-11-3-5-13-6-4-11/h9H,3-8H2,1-2H3
InChIKeyBJUGQLUGWAXWOY-UHFFFAOYSA-N
XLogP0.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Piperidinone, 1-(2-ethoxyethyl)-3-methyl-, hydrochloride (1:1)
CID 3066145
Methyl 2-(4-acetylpiperidin-1-yl)acetate
CID 57941101
3-Methyl-1-morpholin-4-ylbutan-2-one
CID 4355353
1-(2-Ethoxyethyl)-3-methylpiperidin-4-one
CID 3066146
2-Methyl-4-morpholin-4-ylpentan-3-one
CID 58638043
4-Methyl-5-morpholino-pentane-2-one
CID 129771205
2-(Morpholinomethyl)-4-oxopentanenitrile
CID 168654931
3-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-one
CID 63828772
6,6,6-Trifluoro-2-methyl-2-morpholin-4-ylhexan-3-one
CID 79045953
1-[2-(2,2-Difluoroethoxy)ethyl]-3-methylpiperidin-4-one
CID 105908647
1-(2-Methoxyethyl)-2,3-dimethylpiperidin-4-one
CID 4431478
1-Morpholin-4-ylpentan-2-one
CID 10749698

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-morpholin-4-ylpentan-2-one?
The IUPAC name of 4-methyl-1-morpholin-4-ylpentan-2-one (CID 12595887) is 4-methyl-1-morpholin-4-ylpentan-2-one.
What is the SMILES notation for 4-methyl-1-morpholin-4-ylpentan-2-one?
The canonical SMILES for 4-methyl-1-morpholin-4-ylpentan-2-one is CC(C)CC(=O)CN1CCOCC1.
What is the InChIKey of 4-methyl-1-morpholin-4-ylpentan-2-one?
The InChIKey is BJUGQLUGWAXWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(2)7-10(12)8-11-3-5-13-6-4-11/h9H,3-8H2,1-2H3.
What are the key properties of 4-methyl-1-morpholin-4-ylpentan-2-one?
4-methyl-1-morpholin-4-ylpentan-2-one has a molecular weight of 185.27 g/mol, XLogP of 0.93, 4 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-ylpentan-2-one is sourced from PubChem (CID 12595887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).