1-[(2S,3R)-3-methyl-2-phenylmorpholin-4-yl]ethanone

C13H17NO2 — CID 92843868

IUPAC1-[(2S,3R)-3-methyl-2-phenylmorpholin-4-yl]ethanone
SMILESCC(=O)N1CCO[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C13H17NO2/c1-10-13(12-6-4-3-5-7-12)16-9-8-14(10)11(2)15/h3-7,10,13H,8-9H2,1-2H3/t10-,13-/m1/s1
InChIKeyZZGGQYMSRNYALW-ZWNOBZJWSA-N
MW219.28 g/mol
LogP1.99
Rot. Bonds1

About 1-[(2S,3R)-3-methyl-2-phenylmorpholin-4-yl]ethanone

1-[(2S,3R)-3-methyl-2-phenylmorpholin-4-yl]ethanone (PubChem CID 92843868) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-[(2S,3R)-3-methyl-2-phenylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,3R)-3-methyl-2-phenylmorpholin-4-yl]ethanone
PubChem CID92843868
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-[(2S,3R)-3-methyl-2-phenylmorpholin-4-yl]ethanone
SMILESCC(=O)N1CCO[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C13H17NO2/c1-10-13(12-6-4-3-5-7-12)16-9-8-14(10)11(2)15/h3-7,10,13H,8-9H2,1-2H3/t10-,13-/m1/s1
InChIKeyZZGGQYMSRNYALW-ZWNOBZJWSA-N
XLogP1.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R)-3-methyl-2-phenylmorpholin-4-yl]ethanone?
The IUPAC name of 1-[(2S,3R)-3-methyl-2-phenylmorpholin-4-yl]ethanone (CID 92843868) is 1-[(2S,3R)-3-methyl-2-phenylmorpholin-4-yl]ethanone.
What is the SMILES notation for 1-[(2S,3R)-3-methyl-2-phenylmorpholin-4-yl]ethanone?
The canonical SMILES for 1-[(2S,3R)-3-methyl-2-phenylmorpholin-4-yl]ethanone is CC(=O)N1CCO[C@@H](c2ccccc2)[C@H]1C.
What is the InChIKey of 1-[(2S,3R)-3-methyl-2-phenylmorpholin-4-yl]ethanone?
The InChIKey is ZZGGQYMSRNYALW-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10-13(12-6-4-3-5-7-12)16-9-8-14(10)11(2)15/h3-7,10,13H,8-9H2,1-2H3/t10-,13-/m1/s1.
What are the key properties of 1-[(2S,3R)-3-methyl-2-phenylmorpholin-4-yl]ethanone?
1-[(2S,3R)-3-methyl-2-phenylmorpholin-4-yl]ethanone has a molecular weight of 219.28 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R)-3-methyl-2-phenylmorpholin-4-yl]ethanone is sourced from PubChem (CID 92843868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).