3-methyl-1-(5-methylmorpholin-3-yl)pentan-2-one

C11H21NO2 — CID 165485552

IUPAC3-methyl-1-(5-methylmorpholin-3-yl)pentan-2-one
SMILESCCC(C)C(=O)CC1COCC(C)N1
InChIInChI=1S/C11H21NO2/c1-4-8(2)11(13)5-10-7-14-6-9(3)12-10/h8-10,12H,4-7H2,1-3H3
InChIKeyHANSBJVDKHITGL-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.37
Rot. Bonds4

About 3-methyl-1-(5-methylmorpholin-3-yl)pentan-2-one

3-methyl-1-(5-methylmorpholin-3-yl)pentan-2-one (PubChem CID 165485552) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-methyl-1-(5-methylmorpholin-3-yl)pentan-2-one.

Molecular Properties

Compound Name3-methyl-1-(5-methylmorpholin-3-yl)pentan-2-one
PubChem CID165485552
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-methyl-1-(5-methylmorpholin-3-yl)pentan-2-one
SMILESCCC(C)C(=O)CC1COCC(C)N1
InChIInChI=1S/C11H21NO2/c1-4-8(2)11(13)5-10-7-14-6-9(3)12-10/h8-10,12H,4-7H2,1-3H3
InChIKeyHANSBJVDKHITGL-UHFFFAOYSA-N
XLogP1.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-methylmorpholin-3-yl)pentan-2-one?
The IUPAC name of 3-methyl-1-(5-methylmorpholin-3-yl)pentan-2-one (CID 165485552) is 3-methyl-1-(5-methylmorpholin-3-yl)pentan-2-one.
What is the SMILES notation for 3-methyl-1-(5-methylmorpholin-3-yl)pentan-2-one?
The canonical SMILES for 3-methyl-1-(5-methylmorpholin-3-yl)pentan-2-one is CCC(C)C(=O)CC1COCC(C)N1.
What is the InChIKey of 3-methyl-1-(5-methylmorpholin-3-yl)pentan-2-one?
The InChIKey is HANSBJVDKHITGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-8(2)11(13)5-10-7-14-6-9(3)12-10/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 3-methyl-1-(5-methylmorpholin-3-yl)pentan-2-one?
3-methyl-1-(5-methylmorpholin-3-yl)pentan-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5-methylmorpholin-3-yl)pentan-2-one is sourced from PubChem (CID 165485552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).