1-(3-ethyl-2-hydroxypentyl)-3-phenylpyrrolidine-2,5-dione

C17H23NO3 — CID 106288752

IUPAC1-(3-ethyl-2-hydroxypentyl)-3-phenylpyrrolidine-2,5-dione
SMILESCCC(CC)C(O)CN1C(=O)CC(c2ccccc2)C1=O
InChIInChI=1S/C17H23NO3/c1-3-12(4-2)15(19)11-18-16(20)10-14(17(18)21)13-8-6-5-7-9-13/h5-9,12,14-15,19H,3-4,10-11H2,1-2H3
InChIKeyVHOSFYPLVMGLLF-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.33
Rot. Bonds6

About 1-(3-ethyl-2-hydroxypentyl)-3-phenylpyrrolidine-2,5-dione

1-(3-ethyl-2-hydroxypentyl)-3-phenylpyrrolidine-2,5-dione (PubChem CID 106288752) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-(3-ethyl-2-hydroxypentyl)-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-ethyl-2-hydroxypentyl)-3-phenylpyrrolidine-2,5-dione
PubChem CID106288752
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name1-(3-ethyl-2-hydroxypentyl)-3-phenylpyrrolidine-2,5-dione
SMILESCCC(CC)C(O)CN1C(=O)CC(c2ccccc2)C1=O
InChIInChI=1S/C17H23NO3/c1-3-12(4-2)15(19)11-18-16(20)10-14(17(18)21)13-8-6-5-7-9-13/h5-9,12,14-15,19H,3-4,10-11H2,1-2H3
InChIKeyVHOSFYPLVMGLLF-UHFFFAOYSA-N
XLogP2.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-hydroxypentyl)-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-ethyl-2-hydroxypentyl)-3-phenylpyrrolidine-2,5-dione (CID 106288752) is 1-(3-ethyl-2-hydroxypentyl)-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-ethyl-2-hydroxypentyl)-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-ethyl-2-hydroxypentyl)-3-phenylpyrrolidine-2,5-dione is CCC(CC)C(O)CN1C(=O)CC(c2ccccc2)C1=O.
What is the InChIKey of 1-(3-ethyl-2-hydroxypentyl)-3-phenylpyrrolidine-2,5-dione?
The InChIKey is VHOSFYPLVMGLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-3-12(4-2)15(19)11-18-16(20)10-14(17(18)21)13-8-6-5-7-9-13/h5-9,12,14-15,19H,3-4,10-11H2,1-2H3.
What are the key properties of 1-(3-ethyl-2-hydroxypentyl)-3-phenylpyrrolidine-2,5-dione?
1-(3-ethyl-2-hydroxypentyl)-3-phenylpyrrolidine-2,5-dione has a molecular weight of 289.37 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-hydroxypentyl)-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 106288752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).