2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]cyclopentan-1-one

C12H21NO3 — CID 81213856

IUPAC2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]cyclopentan-1-one
SMILESCC1COC(CO)CN1CC1CCCC1=O
InChIInChI=1S/C12H21NO3/c1-9-8-16-11(7-14)6-13(9)5-10-3-2-4-12(10)15/h9-11,14H,2-8H2,1H3
InChIKeyHTJLOWIESQHNSY-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.44
Rot. Bonds3

About 2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]cyclopentan-1-one

2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]cyclopentan-1-one (PubChem CID 81213856) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]cyclopentan-1-one
PubChem CID81213856
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]cyclopentan-1-one
SMILESCC1COC(CO)CN1CC1CCCC1=O
InChIInChI=1S/C12H21NO3/c1-9-8-16-11(7-14)6-13(9)5-10-3-2-4-12(10)15/h9-11,14H,2-8H2,1H3
InChIKeyHTJLOWIESQHNSY-UHFFFAOYSA-N
XLogP0.44
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol
CID 114286796
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-one
CID 81204259
2-[(3-methylmorpholin-4-yl)methyl]cycloheptan-1-one
CID 62613023
[4-[(2-amino-5-methylcyclohexyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81214231
[5-methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol
CID 81218750
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-2-one
CID 81204330
2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethyl]cyclopentan-1-one
CID 102933584
ethane;2-(hydroxymethyl)cyclopentan-1-one
CID 144825908
(2R)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-ol
CID 106932860
[4-[(4-ethylmorpholin-2-yl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81213819
tert-butyl (2R)-2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]pyrrolidine-1-carboxylate
CID 167960651
methyl 3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropanoate
CID 81204311

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]cyclopentan-1-one?
The IUPAC name of 2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]cyclopentan-1-one (CID 81213856) is 2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]cyclopentan-1-one?
The canonical SMILES for 2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]cyclopentan-1-one is CC1COC(CO)CN1CC1CCCC1=O.
What is the InChIKey of 2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]cyclopentan-1-one?
The InChIKey is HTJLOWIESQHNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9-8-16-11(7-14)6-13(9)5-10-3-2-4-12(10)15/h9-11,14H,2-8H2,1H3.
What are the key properties of 2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]cyclopentan-1-one?
2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]cyclopentan-1-one has a molecular weight of 227.30 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]cyclopentan-1-one is sourced from PubChem (CID 81213856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).