(2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile

C18H16N2O2 — CID 11833214

IUPAC(2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile
SMILESN#C[C@H](c1ccccc1)N1CC(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C18H16N2O2/c19-11-16(14-7-3-1-4-8-14)20-12-18(21)22-13-17(20)15-9-5-2-6-10-15/h1-10,16-17H,12-13H2/t16-,17-/m1/s1
InChIKeyAJHQGLZFCDOXPZ-IAGOWNOFSA-N
MW292.34 g/mol
LogP2.85
Rot. Bonds3

About (2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile

(2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile (PubChem CID 11833214) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile.

Molecular Properties

Compound Name(2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile
PubChem CID11833214
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name(2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile
SMILESN#C[C@H](c1ccccc1)N1CC(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C18H16N2O2/c19-11-16(14-7-3-1-4-8-14)20-12-18(21)22-13-17(20)15-9-5-2-6-10-15/h1-10,16-17H,12-13H2/t16-,17-/m1/s1
InChIKeyAJHQGLZFCDOXPZ-IAGOWNOFSA-N
XLogP2.85
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile?
The IUPAC name of (2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile (CID 11833214) is (2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile.
What is the SMILES notation for (2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile?
The canonical SMILES for (2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile is N#C[C@H](c1ccccc1)N1CC(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of (2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile?
The InChIKey is AJHQGLZFCDOXPZ-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H16N2O2/c19-11-16(14-7-3-1-4-8-14)20-12-18(21)22-13-17(20)15-9-5-2-6-10-15/h1-10,16-17H,12-13H2/t16-,17-/m1/s1.
What are the key properties of (2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile?
(2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile has a molecular weight of 292.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-2-phenylacetonitrile is sourced from PubChem (CID 11833214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).