1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one

C12H23NO2 — CID 52985704

IUPAC1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one
SMILESCCCCC(=O)N1CC(C)OCC1(C)C
InChIInChI=1S/C12H23NO2/c1-5-6-7-11(14)13-8-10(2)15-9-12(13,3)4/h10H,5-9H2,1-4H3
InChIKeyJHSSYUJNQRTNCJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.20
Rot. Bonds3

About 1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one

1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one (PubChem CID 52985704) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one.

Molecular Properties

Compound Name1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one
PubChem CID52985704
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one
SMILESCCCCC(=O)N1CC(C)OCC1(C)C
InChIInChI=1S/C12H23NO2/c1-5-6-7-11(14)13-8-10(2)15-9-12(13,3)4/h10H,5-9H2,1-4H3
InChIKeyJHSSYUJNQRTNCJ-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-oxo-3-(2,5,5-trimethylmorpholin-4-yl)propyl]acetamide
CID 110421882
5-piperidin-1-ylsulfonyl-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one
CID 110304785
1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pentan-1-one
CID 110327503
1-(2-benzyl-5,5-dimethylmorpholin-4-yl)pentan-1-one
CID 110643761
3-(4-fluorophenyl)-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one
CID 110353788
1-(2-methylmorpholin-4-yl)octan-1-one
CID 146665487
1-(3-methylpyrrolidin-1-yl)pentan-1-one
CID 68735226
1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]octan-1-one
CID 98368513
(2,6-dimethoxyphenyl)-(2,5,5-trimethylmorpholin-4-yl)methanone
CID 112507460
1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)pentan-1-one
CID 115268922
1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)heptan-1-one
CID 115276032
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333

Frequently Asked Questions

What is the IUPAC name of 1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one?
The IUPAC name of 1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one (CID 52985704) is 1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one.
What is the SMILES notation for 1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one?
The canonical SMILES for 1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one is CCCCC(=O)N1CC(C)OCC1(C)C.
What is the InChIKey of 1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one?
The InChIKey is JHSSYUJNQRTNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-6-7-11(14)13-8-10(2)15-9-12(13,3)4/h10H,5-9H2,1-4H3.
What are the key properties of 1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one?
1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one has a molecular weight of 213.32 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one is sourced from PubChem (CID 52985704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).