3-acetyl-1-(4-chloro-3-methylphenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one

C19H22ClNO3 — CID 22725647

IUPAC3-acetyl-1-(4-chloro-3-methylphenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1
InChIInChI=1S/C19H22ClNO3/c1-11-10-14(8-9-15(11)20)21-17(13-6-4-3-5-7-13)16(12(2)22)18(23)19(21)24/h8-10,13,17,23H,3-7H2,1-2H3
InChIKeyWGWDDPLFUFHZQV-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.35
Rot. Bonds3

About 3-acetyl-1-(4-chloro-3-methylphenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one

3-acetyl-1-(4-chloro-3-methylphenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one (PubChem CID 22725647) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 3-acetyl-1-(4-chloro-3-methylphenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-1-(4-chloro-3-methylphenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one
PubChem CID22725647
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name3-acetyl-1-(4-chloro-3-methylphenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1
InChIInChI=1S/C19H22ClNO3/c1-11-10-14(8-9-15(11)20)21-17(13-6-4-3-5-7-13)16(12(2)22)18(23)19(21)24/h8-10,13,17,23H,3-7H2,1-2H3
InChIKeyWGWDDPLFUFHZQV-UHFFFAOYSA-N
XLogP4.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-(4-chloro-3-methylphenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-1-(4-chloro-3-methylphenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one (CID 22725647) is 3-acetyl-1-(4-chloro-3-methylphenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-1-(4-chloro-3-methylphenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-1-(4-chloro-3-methylphenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1.
What is the InChIKey of 3-acetyl-1-(4-chloro-3-methylphenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is WGWDDPLFUFHZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-11-10-14(8-9-15(11)20)21-17(13-6-4-3-5-7-13)16(12(2)22)18(23)19(21)24/h8-10,13,17,23H,3-7H2,1-2H3.
What are the key properties of 3-acetyl-1-(4-chloro-3-methylphenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one?
3-acetyl-1-(4-chloro-3-methylphenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 347.84 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-(4-chloro-3-methylphenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 22725647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).