5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyran-2-one

C12H15NO4 — CID 919353

IUPAC5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyran-2-one
SMILESC[C@H]1CN(C(=O)c2ccc(=O)oc2)C[C@H](C)O1
InChIInChI=1S/C12H15NO4/c1-8-5-13(6-9(2)17-8)12(15)10-3-4-11(14)16-7-10/h3-4,7-9H,5-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyDOIVJPKDJWMSJU-IUCAKERBSA-N
MW237.25 g/mol
LogP0.89
Rot. Bonds1

About 5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyran-2-one

5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyran-2-one (PubChem CID 919353) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyran-2-one.

Molecular Properties

Compound Name5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyran-2-one
PubChem CID919353
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyran-2-one
SMILESC[C@H]1CN(C(=O)c2ccc(=O)oc2)C[C@H](C)O1
InChIInChI=1S/C12H15NO4/c1-8-5-13(6-9(2)17-8)12(15)10-3-4-11(14)16-7-10/h3-4,7-9H,5-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyDOIVJPKDJWMSJU-IUCAKERBSA-N
XLogP0.89
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
(2,6-dimethylmorpholin-4-yl)-(furan-3-yl)methanone
CID 42922601
4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051085
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051084
5-(3-methylpiperazine-1-carbonyl)pyran-2-one
CID 65447478
(2,6-dimethylmorpholin-4-yl)-(4-iodophenyl)methanone
CID 2961375
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-phenylphenyl)methanone
CID 7316313
(2,6-dimethylmorpholin-4-yl)-(4-phenylphenyl)methanone
CID 3118736
(4-bromo-3-methylphenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 66817211
5-[(3R)-3-aminopyrrolidine-1-carbonyl]pyran-2-one
CID 94339974
5-(4-aminopiperidine-1-carbonyl)pyran-2-one
CID 43556219
(3,4-dichlorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7722716

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyran-2-one?
The IUPAC name of 5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyran-2-one (CID 919353) is 5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyran-2-one.
What is the SMILES notation for 5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyran-2-one?
The canonical SMILES for 5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyran-2-one is C[C@H]1CN(C(=O)c2ccc(=O)oc2)C[C@H](C)O1.
What is the InChIKey of 5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyran-2-one?
The InChIKey is DOIVJPKDJWMSJU-IUCAKERBSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8-5-13(6-9(2)17-8)12(15)10-3-4-11(14)16-7-10/h3-4,7-9H,5-6H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of 5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyran-2-one?
5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyran-2-one has a molecular weight of 237.25 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyran-2-one is sourced from PubChem (CID 919353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).