3-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2,5-dione

C14H17NO3 — CID 646428

IUPAC3-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2,5-dione
SMILESCC(C)Oc1ccc(CC2CC(=O)NC2=O)cc1
InChIInChI=1S/C14H17NO3/c1-9(2)18-12-5-3-10(4-6-12)7-11-8-13(16)15-14(11)17/h3-6,9,11H,7-8H2,1-2H3,(H,15,16,17)
InChIKeyFEWBZKVFSILBEN-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.68
Rot. Bonds4

About 3-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2,5-dione

3-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 646428) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID646428
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2,5-dione
SMILESCC(C)Oc1ccc(CC2CC(=O)NC2=O)cc1
InChIInChI=1S/C14H17NO3/c1-9(2)18-12-5-3-10(4-6-12)7-11-8-13(16)15-14(11)17/h3-6,9,11H,7-8H2,1-2H3,(H,15,16,17)
InChIKeyFEWBZKVFSILBEN-UHFFFAOYSA-N
XLogP1.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ciglitazone
CID 2750
4-Butoxybenzeneacetamide
CID 76952
2,5-Pyrrolidinedione, 3-(4-(1-methylethoxy)phenyl)-
CID 214258
Ploglitazone
CID 12944192
Succinimide, 2,2'-((pentamethylenedioxy)di-p-phenylene)di-
CID 3071136
3-(4-Heptyloxy-phenyl)-1-methyl-pyrrolidine-2,5-dione
CID 3095544
1-Methyl-3-[4-(3-methylbutoxy)phenyl]pyrrolidine-2,5-dione
CID 3100539
3-(4-Isopropoxy-phenyl)-1-methyl-pyrrolidine-2,5-dione
CID 3105271
4-(4-Isopropoxyphenyl)pyrrolidin-2-one
CID 3112940
2-[4-(Cyclohexylmethoxy)phenyl]acetamide
CID 44371568
3-(4-Propoxybenzyl)piperidine-2,6-dione
CID 5096405
Ciglitazone, (R)-
CID 6604850

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2,5-dione (CID 646428) is 3-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2,5-dione is CC(C)Oc1ccc(CC2CC(=O)NC2=O)cc1.
What is the InChIKey of 3-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is FEWBZKVFSILBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9(2)18-12-5-3-10(4-6-12)7-11-8-13(16)15-14(11)17/h3-6,9,11H,7-8H2,1-2H3,(H,15,16,17).
What are the key properties of 3-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2,5-dione?
3-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 247.29 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 646428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).