5-[(3R)-4-(3-chlorophenyl)-3-hydroxybutyl]-1-(4-hydroxybutyl)pyrrolidin-2-one

C18H26ClNO3 — CID 90870086

IUPAC5-[(3R)-4-(3-chlorophenyl)-3-hydroxybutyl]-1-(4-hydroxybutyl)pyrrolidin-2-one
SMILESO=C1CCC(CC[C@@H](O)Cc2cccc(Cl)c2)N1CCCCO
InChIInChI=1S/C18H26ClNO3/c19-15-5-3-4-14(12-15)13-17(22)8-6-16-7-9-18(23)20(16)10-1-2-11-21/h3-5,12,16-17,21-22H,1-2,6-11,13H2/t16?,17-/m1/s1
InChIKeySXAOQYWEOFJBKX-ZYMOGRSISA-N
MW339.86 g/mol
LogP2.79
Rot. Bonds9

About 5-[(3R)-4-(3-chlorophenyl)-3-hydroxybutyl]-1-(4-hydroxybutyl)pyrrolidin-2-one

5-[(3R)-4-(3-chlorophenyl)-3-hydroxybutyl]-1-(4-hydroxybutyl)pyrrolidin-2-one (PubChem CID 90870086) has the molecular formula C18H26ClNO3 and a molecular weight of 339.86 g/mol. Its IUPAC name is 5-[(3R)-4-(3-chlorophenyl)-3-hydroxybutyl]-1-(4-hydroxybutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(3R)-4-(3-chlorophenyl)-3-hydroxybutyl]-1-(4-hydroxybutyl)pyrrolidin-2-one
PubChem CID90870086
Molecular FormulaC18H26ClNO3
Molecular Weight339.86 g/mol
Exact Mass339.16
IUPAC Name5-[(3R)-4-(3-chlorophenyl)-3-hydroxybutyl]-1-(4-hydroxybutyl)pyrrolidin-2-one
SMILESO=C1CCC(CC[C@@H](O)Cc2cccc(Cl)c2)N1CCCCO
InChIInChI=1S/C18H26ClNO3/c19-15-5-3-4-14(12-15)13-17(22)8-6-16-7-9-18(23)20(16)10-1-2-11-21/h3-5,12,16-17,21-22H,1-2,6-11,13H2/t16?,17-/m1/s1
InChIKeySXAOQYWEOFJBKX-ZYMOGRSISA-N
XLogP2.79
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.86
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(3R)-4-(3-chlorophenyl)-3-hydroxybutyl]-1-(4-hydroxybutyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-4-(3-chlorophenyl)-3-hydroxybutyl]-1-(4-hydroxybutyl)pyrrolidin-2-one?
The IUPAC name of 5-[(3R)-4-(3-chlorophenyl)-3-hydroxybutyl]-1-(4-hydroxybutyl)pyrrolidin-2-one (CID 90870086) is 5-[(3R)-4-(3-chlorophenyl)-3-hydroxybutyl]-1-(4-hydroxybutyl)pyrrolidin-2-one.
What is the SMILES notation for 5-[(3R)-4-(3-chlorophenyl)-3-hydroxybutyl]-1-(4-hydroxybutyl)pyrrolidin-2-one?
The canonical SMILES for 5-[(3R)-4-(3-chlorophenyl)-3-hydroxybutyl]-1-(4-hydroxybutyl)pyrrolidin-2-one is O=C1CCC(CC[C@@H](O)Cc2cccc(Cl)c2)N1CCCCO.
What is the InChIKey of 5-[(3R)-4-(3-chlorophenyl)-3-hydroxybutyl]-1-(4-hydroxybutyl)pyrrolidin-2-one?
The InChIKey is SXAOQYWEOFJBKX-ZYMOGRSISA-N. The full InChI is InChI=1S/C18H26ClNO3/c19-15-5-3-4-14(12-15)13-17(22)8-6-16-7-9-18(23)20(16)10-1-2-11-21/h3-5,12,16-17,21-22H,1-2,6-11,13H2/t16?,17-/m1/s1.
What are the key properties of 5-[(3R)-4-(3-chlorophenyl)-3-hydroxybutyl]-1-(4-hydroxybutyl)pyrrolidin-2-one?
5-[(3R)-4-(3-chlorophenyl)-3-hydroxybutyl]-1-(4-hydroxybutyl)pyrrolidin-2-one has a molecular weight of 339.86 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-4-(3-chlorophenyl)-3-hydroxybutyl]-1-(4-hydroxybutyl)pyrrolidin-2-one is sourced from PubChem (CID 90870086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).