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

C12H23NO2 — CID 51710253

IUPAC1-[(2S)-2,5,5-trimethylmorpholin-4-yl]pentan-1-one
SMILESCCCCC(=O)N1C[C@H](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/t10-/m0/s1
InChIKeyJHSSYUJNQRTNCJ-JTQLQIEISA-N
MW213.32 g/mol
LogP2.20
Rot. Bonds3

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

1-[(2S)-2,5,5-trimethylmorpholin-4-yl]pentan-1-one (PubChem CID 51710253) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[(2S)-2,5,5-trimethylmorpholin-4-yl]pentan-1-one.

Molecular Properties

Compound Name1-[(2S)-2,5,5-trimethylmorpholin-4-yl]pentan-1-one
PubChem CID51710253
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-[(2S)-2,5,5-trimethylmorpholin-4-yl]pentan-1-one
SMILESCCCCC(=O)N1C[C@H](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/t10-/m0/s1
InChIKeyJHSSYUJNQRTNCJ-JTQLQIEISA-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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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2,5,5-trimethylmorpholin-4-yl]pentan-1-one?
The IUPAC name of 1-[(2S)-2,5,5-trimethylmorpholin-4-yl]pentan-1-one (CID 51710253) is 1-[(2S)-2,5,5-trimethylmorpholin-4-yl]pentan-1-one.
What is the SMILES notation for 1-[(2S)-2,5,5-trimethylmorpholin-4-yl]pentan-1-one?
The canonical SMILES for 1-[(2S)-2,5,5-trimethylmorpholin-4-yl]pentan-1-one is CCCCC(=O)N1C[C@H](C)OCC1(C)C.
What is the InChIKey of 1-[(2S)-2,5,5-trimethylmorpholin-4-yl]pentan-1-one?
The InChIKey is JHSSYUJNQRTNCJ-JTQLQIEISA-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/t10-/m0/s1.
What are the key properties of 1-[(2S)-2,5,5-trimethylmorpholin-4-yl]pentan-1-one?
1-[(2S)-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-[(2S)-2,5,5-trimethylmorpholin-4-yl]pentan-1-one is sourced from PubChem (CID 51710253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).