3-hydroxy-3-tetradecylpyrrolidine-2,5-dione

C18H33NO3 — CID 139791197

IUPAC3-hydroxy-3-tetradecylpyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCCCC1(O)CC(=O)NC1=O
InChIInChI=1S/C18H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(22)15-16(20)19-17(18)21/h22H,2-15H2,1H3,(H,19,20,21)
InChIKeyVOLZWUODEPKQFX-UHFFFAOYSA-N
MW311.47 g/mol
LogP3.86
Rot. Bonds13

About 3-hydroxy-3-tetradecylpyrrolidine-2,5-dione

3-hydroxy-3-tetradecylpyrrolidine-2,5-dione (PubChem CID 139791197) has the molecular formula C18H33NO3 and a molecular weight of 311.47 g/mol. Its IUPAC name is 3-hydroxy-3-tetradecylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-3-tetradecylpyrrolidine-2,5-dione
PubChem CID139791197
Molecular FormulaC18H33NO3
Molecular Weight311.47 g/mol
Exact Mass311.25
IUPAC Name3-hydroxy-3-tetradecylpyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCCCC1(O)CC(=O)NC1=O
InChIInChI=1S/C18H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(22)15-16(20)19-17(18)21/h22H,2-15H2,1H3,(H,19,20,21)
InChIKeyVOLZWUODEPKQFX-UHFFFAOYSA-N
XLogP3.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-3-oct-1-enylpyrrolidine-2,5-dione
CID 70179423
3-hexadecyl-3-hydroxy-1,6-dioxecane-2,5,7,10-tetrone
CID 139778449
azane;3-butyl-3-chloropyrrolidine-2,5-dione
CID 18612356
5-hexyl-5-hydroxyimidazolidine-2,4-dione
CID 70494032
3-dodecyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 67077287
(4S)-4-hexadecyl-4-hydroxycyclopent-2-en-1-one
CID 101350451
5-octyl-5-pentylimidazolidine-2,4-dione
CID 21324142
3-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione
CID 154520692
3,3-dioctadecyl-azacycloundecane-2,11-dione
CID 54119776
3-hydroxy-3-octyl-1H-indol-2-one
CID 83036797
2-hydroxy-2-pentylcycloheptan-1-one
CID 12920406
5,5-dihexyl-1,3-diazinane-2,4,6-trione
CID 15536734

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-tetradecylpyrrolidine-2,5-dione?
The IUPAC name of 3-hydroxy-3-tetradecylpyrrolidine-2,5-dione (CID 139791197) is 3-hydroxy-3-tetradecylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-hydroxy-3-tetradecylpyrrolidine-2,5-dione?
The canonical SMILES for 3-hydroxy-3-tetradecylpyrrolidine-2,5-dione is CCCCCCCCCCCCCCC1(O)CC(=O)NC1=O.
What is the InChIKey of 3-hydroxy-3-tetradecylpyrrolidine-2,5-dione?
The InChIKey is VOLZWUODEPKQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(22)15-16(20)19-17(18)21/h22H,2-15H2,1H3,(H,19,20,21).
What are the key properties of 3-hydroxy-3-tetradecylpyrrolidine-2,5-dione?
3-hydroxy-3-tetradecylpyrrolidine-2,5-dione has a molecular weight of 311.47 g/mol, XLogP of 3.86, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-tetradecylpyrrolidine-2,5-dione is sourced from PubChem (CID 139791197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).