1-(2-morpholin-4-yl-5-phenyl-1H-pyrrol-3-yl)ethanone

C16H18N2O2 — CID 3237586

IUPAC1-(2-morpholin-4-yl-5-phenyl-1H-pyrrol-3-yl)ethanone
SMILESCC(=O)c1cc(-c2ccccc2)[nH]c1N1CCOCC1
InChIInChI=1S/C16H18N2O2/c1-12(19)14-11-15(13-5-3-2-4-6-13)17-16(14)18-7-9-20-10-8-18/h2-6,11,17H,7-10H2,1H3
InChIKeyOHLXUHVTXOXTNX-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.72
Rot. Bonds3

About 1-(2-morpholin-4-yl-5-phenyl-1H-pyrrol-3-yl)ethanone

1-(2-morpholin-4-yl-5-phenyl-1H-pyrrol-3-yl)ethanone (PubChem CID 3237586) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(2-morpholin-4-yl-5-phenyl-1H-pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-morpholin-4-yl-5-phenyl-1H-pyrrol-3-yl)ethanone
PubChem CID3237586
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-(2-morpholin-4-yl-5-phenyl-1H-pyrrol-3-yl)ethanone
SMILESCC(=O)c1cc(-c2ccccc2)[nH]c1N1CCOCC1
InChIInChI=1S/C16H18N2O2/c1-12(19)14-11-15(13-5-3-2-4-6-13)17-16(14)18-7-9-20-10-8-18/h2-6,11,17H,7-10H2,1H3
InChIKeyOHLXUHVTXOXTNX-UHFFFAOYSA-N
XLogP2.72
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-yl-5-phenyl-1H-pyrrol-3-yl)ethanone?
The IUPAC name of 1-(2-morpholin-4-yl-5-phenyl-1H-pyrrol-3-yl)ethanone (CID 3237586) is 1-(2-morpholin-4-yl-5-phenyl-1H-pyrrol-3-yl)ethanone.
What is the SMILES notation for 1-(2-morpholin-4-yl-5-phenyl-1H-pyrrol-3-yl)ethanone?
The canonical SMILES for 1-(2-morpholin-4-yl-5-phenyl-1H-pyrrol-3-yl)ethanone is CC(=O)c1cc(-c2ccccc2)[nH]c1N1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-yl-5-phenyl-1H-pyrrol-3-yl)ethanone?
The InChIKey is OHLXUHVTXOXTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12(19)14-11-15(13-5-3-2-4-6-13)17-16(14)18-7-9-20-10-8-18/h2-6,11,17H,7-10H2,1H3.
What are the key properties of 1-(2-morpholin-4-yl-5-phenyl-1H-pyrrol-3-yl)ethanone?
1-(2-morpholin-4-yl-5-phenyl-1H-pyrrol-3-yl)ethanone has a molecular weight of 270.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-yl-5-phenyl-1H-pyrrol-3-yl)ethanone is sourced from PubChem (CID 3237586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).