5-[(3-pyrrol-1-ylphenyl)methyl]morpholin-3-one

C15H16N2O2 — CID 118117781

IUPAC5-[(3-pyrrol-1-ylphenyl)methyl]morpholin-3-one
SMILESO=C1COCC(Cc2cccc(-n3cccc3)c2)N1
InChIInChI=1S/C15H16N2O2/c18-15-11-19-10-13(16-15)8-12-4-3-5-14(9-12)17-6-1-2-7-17/h1-7,9,13H,8,10-11H2,(H,16,18)
InChIKeyWCXVRKZHEBZRAM-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.53
Rot. Bonds3

About 5-[(3-pyrrol-1-ylphenyl)methyl]morpholin-3-one

5-[(3-pyrrol-1-ylphenyl)methyl]morpholin-3-one (PubChem CID 118117781) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-[(3-pyrrol-1-ylphenyl)methyl]morpholin-3-one.

Molecular Properties

Compound Name5-[(3-pyrrol-1-ylphenyl)methyl]morpholin-3-one
PubChem CID118117781
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name5-[(3-pyrrol-1-ylphenyl)methyl]morpholin-3-one
SMILESO=C1COCC(Cc2cccc(-n3cccc3)c2)N1
InChIInChI=1S/C15H16N2O2/c18-15-11-19-10-13(16-15)8-12-4-3-5-14(9-12)17-6-1-2-7-17/h1-7,9,13H,8,10-11H2,(H,16,18)
InChIKeyWCXVRKZHEBZRAM-UHFFFAOYSA-N
XLogP1.53
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-pyrrol-1-ylphenyl)methyl]morpholin-3-one?
The IUPAC name of 5-[(3-pyrrol-1-ylphenyl)methyl]morpholin-3-one (CID 118117781) is 5-[(3-pyrrol-1-ylphenyl)methyl]morpholin-3-one.
What is the SMILES notation for 5-[(3-pyrrol-1-ylphenyl)methyl]morpholin-3-one?
The canonical SMILES for 5-[(3-pyrrol-1-ylphenyl)methyl]morpholin-3-one is O=C1COCC(Cc2cccc(-n3cccc3)c2)N1.
What is the InChIKey of 5-[(3-pyrrol-1-ylphenyl)methyl]morpholin-3-one?
The InChIKey is WCXVRKZHEBZRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15-11-19-10-13(16-15)8-12-4-3-5-14(9-12)17-6-1-2-7-17/h1-7,9,13H,8,10-11H2,(H,16,18).
What are the key properties of 5-[(3-pyrrol-1-ylphenyl)methyl]morpholin-3-one?
5-[(3-pyrrol-1-ylphenyl)methyl]morpholin-3-one has a molecular weight of 256.31 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-pyrrol-1-ylphenyl)methyl]morpholin-3-one is sourced from PubChem (CID 118117781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).