1-[1-cyclohexyl-4-hydroxy-2-(4-methylphenyl)-2,5-dihydropyrrol-3-yl]ethanone

C19H25NO2 — CID 141065497

IUPAC1-[1-cyclohexyl-4-hydroxy-2-(4-methylphenyl)-2,5-dihydropyrrol-3-yl]ethanone
SMILESCC(=O)C1=C(O)CN(C2CCCCC2)C1c1ccc(C)cc1
InChIInChI=1S/C19H25NO2/c1-13-8-10-15(11-9-13)19-18(14(2)21)17(22)12-20(19)16-6-4-3-5-7-16/h8-11,16,19,22H,3-7,12H2,1-2H3
InChIKeyQBKOXWXCWOBQGW-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.09
Rot. Bonds3

About 1-[1-cyclohexyl-4-hydroxy-2-(4-methylphenyl)-2,5-dihydropyrrol-3-yl]ethanone

1-[1-cyclohexyl-4-hydroxy-2-(4-methylphenyl)-2,5-dihydropyrrol-3-yl]ethanone (PubChem CID 141065497) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-[1-cyclohexyl-4-hydroxy-2-(4-methylphenyl)-2,5-dihydropyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-cyclohexyl-4-hydroxy-2-(4-methylphenyl)-2,5-dihydropyrrol-3-yl]ethanone
PubChem CID141065497
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name1-[1-cyclohexyl-4-hydroxy-2-(4-methylphenyl)-2,5-dihydropyrrol-3-yl]ethanone
SMILESCC(=O)C1=C(O)CN(C2CCCCC2)C1c1ccc(C)cc1
InChIInChI=1S/C19H25NO2/c1-13-8-10-15(11-9-13)19-18(14(2)21)17(22)12-20(19)16-6-4-3-5-7-16/h8-11,16,19,22H,3-7,12H2,1-2H3
InChIKeyQBKOXWXCWOBQGW-UHFFFAOYSA-N
XLogP4.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-cyclohexyl-4-hydroxy-2-(4-methylphenyl)-2,5-dihydropyrrol-3-yl]ethanone?
The IUPAC name of 1-[1-cyclohexyl-4-hydroxy-2-(4-methylphenyl)-2,5-dihydropyrrol-3-yl]ethanone (CID 141065497) is 1-[1-cyclohexyl-4-hydroxy-2-(4-methylphenyl)-2,5-dihydropyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[1-cyclohexyl-4-hydroxy-2-(4-methylphenyl)-2,5-dihydropyrrol-3-yl]ethanone?
The canonical SMILES for 1-[1-cyclohexyl-4-hydroxy-2-(4-methylphenyl)-2,5-dihydropyrrol-3-yl]ethanone is CC(=O)C1=C(O)CN(C2CCCCC2)C1c1ccc(C)cc1.
What is the InChIKey of 1-[1-cyclohexyl-4-hydroxy-2-(4-methylphenyl)-2,5-dihydropyrrol-3-yl]ethanone?
The InChIKey is QBKOXWXCWOBQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-13-8-10-15(11-9-13)19-18(14(2)21)17(22)12-20(19)16-6-4-3-5-7-16/h8-11,16,19,22H,3-7,12H2,1-2H3.
What are the key properties of 1-[1-cyclohexyl-4-hydroxy-2-(4-methylphenyl)-2,5-dihydropyrrol-3-yl]ethanone?
1-[1-cyclohexyl-4-hydroxy-2-(4-methylphenyl)-2,5-dihydropyrrol-3-yl]ethanone has a molecular weight of 299.41 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-cyclohexyl-4-hydroxy-2-(4-methylphenyl)-2,5-dihydropyrrol-3-yl]ethanone is sourced from PubChem (CID 141065497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).