3,3-diethyl-1-[(3-hydroxyphenyl)methyl]pyrrolidine-2,5-dione

C15H19NO3 — CID 54904300

IUPAC3,3-diethyl-1-[(3-hydroxyphenyl)methyl]pyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(Cc2cccc(O)c2)C1=O
InChIInChI=1S/C15H19NO3/c1-3-15(4-2)9-13(18)16(14(15)19)10-11-6-5-7-12(17)8-11/h5-8,17H,3-4,9-10H2,1-2H3
InChIKeyICKSZVJAOAYMPN-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.46
Rot. Bonds4

About 3,3-diethyl-1-[(3-hydroxyphenyl)methyl]pyrrolidine-2,5-dione

3,3-diethyl-1-[(3-hydroxyphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 54904300) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3,3-diethyl-1-[(3-hydroxyphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-[(3-hydroxyphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID54904300
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3,3-diethyl-1-[(3-hydroxyphenyl)methyl]pyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(Cc2cccc(O)c2)C1=O
InChIInChI=1S/C15H19NO3/c1-3-15(4-2)9-13(18)16(14(15)19)10-11-6-5-7-12(17)8-11/h5-8,17H,3-4,9-10H2,1-2H3
InChIKeyICKSZVJAOAYMPN-UHFFFAOYSA-N
XLogP2.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.46
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

1-[[3-(hydroxymethyl)phenyl]methyl]-4,4-dimethylpiperidine-2,6-dione
CID 63311734
1-(1H-benzimidazol-2-ylmethyl)-3,3-diethylpyrrolidine-2,5-dione
CID 115281556
2-[(3-hydroxyphenyl)methyl]-5-methylisoindole-1,3-dione
CID 61018720
1-[[3-(aminomethyl)phenyl]methyl]-4,4-dimethylpiperidine-2,6-dione
CID 55155375
4-[(3-hydroxyphenyl)methyl]-1,4-diazepan-5-one
CID 115100485
2-amino-3-[(3-hydroxyphenyl)methyl]-5,5-diphenylimidazol-4-one
CID 145460426
2-[(3-fluorophenyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 11507200
(4R)-4-amino-1-[(3-hydroxyphenyl)methyl]pyrrolidin-2-one
CID 59905935
3-(10H-phenazin-5-ylmethyl)phenol
CID 166831054
(3R)-1-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 102187715
3,3-diethyl-1-(4-hydroxypentyl)pyrrolidine-2,5-dione
CID 114147564
3-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenol
CID 82983068

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-[(3-hydroxyphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-[(3-hydroxyphenyl)methyl]pyrrolidine-2,5-dione (CID 54904300) is 3,3-diethyl-1-[(3-hydroxyphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-[(3-hydroxyphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-[(3-hydroxyphenyl)methyl]pyrrolidine-2,5-dione is CCC1(CC)CC(=O)N(Cc2cccc(O)c2)C1=O.
What is the InChIKey of 3,3-diethyl-1-[(3-hydroxyphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is ICKSZVJAOAYMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-15(4-2)9-13(18)16(14(15)19)10-11-6-5-7-12(17)8-11/h5-8,17H,3-4,9-10H2,1-2H3.
What are the key properties of 3,3-diethyl-1-[(3-hydroxyphenyl)methyl]pyrrolidine-2,5-dione?
3,3-diethyl-1-[(3-hydroxyphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 261.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-[(3-hydroxyphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 54904300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).