(2R)-3-acetyl-2-(2-chlorophenyl)-1-hexyl-4-hydroxy-2H-pyrrol-5-one

C18H22ClNO3 — CID 7387591

IUPAC(2R)-3-acetyl-2-(2-chlorophenyl)-1-hexyl-4-hydroxy-2H-pyrrol-5-one
SMILESCCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccc1Cl
InChIInChI=1S/C18H22ClNO3/c1-3-4-5-8-11-20-16(13-9-6-7-10-14(13)19)15(12(2)21)17(22)18(20)23/h6-7,9-10,16,22H,3-5,8,11H2,1-2H3/t16-/m0/s1
InChIKeyXGFADMYYXYWKEG-INIZCTEOSA-N
MW335.83 g/mol
LogP4.20
Rot. Bonds7

About (2R)-3-acetyl-2-(2-chlorophenyl)-1-hexyl-4-hydroxy-2H-pyrrol-5-one

(2R)-3-acetyl-2-(2-chlorophenyl)-1-hexyl-4-hydroxy-2H-pyrrol-5-one (PubChem CID 7387591) has the molecular formula C18H22ClNO3 and a molecular weight of 335.83 g/mol. Its IUPAC name is (2R)-3-acetyl-2-(2-chlorophenyl)-1-hexyl-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-3-acetyl-2-(2-chlorophenyl)-1-hexyl-4-hydroxy-2H-pyrrol-5-one
PubChem CID7387591
Molecular FormulaC18H22ClNO3
Molecular Weight335.83 g/mol
Exact Mass335.13
IUPAC Name(2R)-3-acetyl-2-(2-chlorophenyl)-1-hexyl-4-hydroxy-2H-pyrrol-5-one
SMILESCCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccc1Cl
InChIInChI=1S/C18H22ClNO3/c1-3-4-5-8-11-20-16(13-9-6-7-10-14(13)19)15(12(2)21)17(22)18(20)23/h6-7,9-10,16,22H,3-5,8,11H2,1-2H3/t16-/m0/s1
InChIKeyXGFADMYYXYWKEG-INIZCTEOSA-N
XLogP4.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-acetyl-1-hexyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 2875928
(2S)-3-acetyl-1-hexyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 7386685
(2R)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one
CID 6969615
3-acetyl-4-hydroxy-1-octyl-2-pyridin-2-yl-2H-pyrrol-5-one
CID 4302366
3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1-(2-piperazin-1-ylethyl)-2H-pyrrol-5-one
CID 567242
(4Z)-5-(2-chlorophenyl)-1-hexyl-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 5344636
3-acetyl-4-hydroxy-1-octyl-2-pyridin-3-yl-2H-pyrrol-5-one
CID 3589786
(2S)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1-(4-hydroxyphenyl)-2H-pyrrol-5-one
CID 780335
(2S)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 7274462
(2R)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 7274460
4-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]butanoic acid
CID 3265466
(2S)-3-acetyl-1-butyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 7008302

Frequently Asked Questions

What is the IUPAC name of (2R)-3-acetyl-2-(2-chlorophenyl)-1-hexyl-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of (2R)-3-acetyl-2-(2-chlorophenyl)-1-hexyl-4-hydroxy-2H-pyrrol-5-one (CID 7387591) is (2R)-3-acetyl-2-(2-chlorophenyl)-1-hexyl-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-3-acetyl-2-(2-chlorophenyl)-1-hexyl-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for (2R)-3-acetyl-2-(2-chlorophenyl)-1-hexyl-4-hydroxy-2H-pyrrol-5-one is CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccc1Cl.
What is the InChIKey of (2R)-3-acetyl-2-(2-chlorophenyl)-1-hexyl-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is XGFADMYYXYWKEG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22ClNO3/c1-3-4-5-8-11-20-16(13-9-6-7-10-14(13)19)15(12(2)21)17(22)18(20)23/h6-7,9-10,16,22H,3-5,8,11H2,1-2H3/t16-/m0/s1.
What are the key properties of (2R)-3-acetyl-2-(2-chlorophenyl)-1-hexyl-4-hydroxy-2H-pyrrol-5-one?
(2R)-3-acetyl-2-(2-chlorophenyl)-1-hexyl-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 335.83 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-acetyl-2-(2-chlorophenyl)-1-hexyl-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 7387591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).