6-methyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one

C18H16N2O2 — CID 53494834

IUPAC6-methyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one
SMILESCC1CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)CO1
InChIInChI=1S/C18H16N2O2/c1-14-12-20(18(21)13-22-14)17-10-9-16(11-19-17)8-7-15-5-3-2-4-6-15/h2-6,9-11,14H,12-13H2,1H3
InChIKeyLCVAMCWKYDWEFZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.23
Rot. Bonds1

About 6-methyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one

6-methyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one (PubChem CID 53494834) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-methyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one.

Molecular Properties

Compound Name6-methyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one
PubChem CID53494834
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name6-methyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one
SMILESCC1CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)CO1
InChIInChI=1S/C18H16N2O2/c1-14-12-20(18(21)13-22-14)17-10-9-16(11-19-17)8-7-15-5-3-2-4-6-15/h2-6,9-11,14H,12-13H2,1H3
InChIKeyLCVAMCWKYDWEFZ-UHFFFAOYSA-N
XLogP2.23
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one?
The IUPAC name of 6-methyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one (CID 53494834) is 6-methyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one.
What is the SMILES notation for 6-methyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one?
The canonical SMILES for 6-methyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one is CC1CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)CO1.
What is the InChIKey of 6-methyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one?
The InChIKey is LCVAMCWKYDWEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-14-12-20(18(21)13-22-14)17-10-9-16(11-19-17)8-7-15-5-3-2-4-6-15/h2-6,9-11,14H,12-13H2,1H3.
What are the key properties of 6-methyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one?
6-methyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one has a molecular weight of 292.34 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one is sourced from PubChem (CID 53494834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).