3-dodecyl-1-hydroxypyrrolidine-2,5-dione

C16H29NO3 — CID 19790039

IUPAC3-dodecyl-1-hydroxypyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCC1CC(=O)N(O)C1=O
InChIInChI=1S/C16H29NO3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(18)17(20)16(14)19/h14,20H,2-13H2,1H3
InChIKeyKDPMGQSAYRFROA-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.06
Rot. Bonds11

About 3-dodecyl-1-hydroxypyrrolidine-2,5-dione

3-dodecyl-1-hydroxypyrrolidine-2,5-dione (PubChem CID 19790039) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 3-dodecyl-1-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-dodecyl-1-hydroxypyrrolidine-2,5-dione
PubChem CID19790039
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name3-dodecyl-1-hydroxypyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCC1CC(=O)N(O)C1=O
InChIInChI=1S/C16H29NO3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(18)17(20)16(14)19/h14,20H,2-13H2,1H3
InChIKeyKDPMGQSAYRFROA-UHFFFAOYSA-N
XLogP4.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-dodecyl-1-hydroxypyrrolidine-2,5-dione 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 3-dodecyl-1-hydroxypyrrolidine-2,5-dione?
The IUPAC name of 3-dodecyl-1-hydroxypyrrolidine-2,5-dione (CID 19790039) is 3-dodecyl-1-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for 3-dodecyl-1-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for 3-dodecyl-1-hydroxypyrrolidine-2,5-dione is CCCCCCCCCCCCC1CC(=O)N(O)C1=O.
What is the InChIKey of 3-dodecyl-1-hydroxypyrrolidine-2,5-dione?
The InChIKey is KDPMGQSAYRFROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(18)17(20)16(14)19/h14,20H,2-13H2,1H3.
What are the key properties of 3-dodecyl-1-hydroxypyrrolidine-2,5-dione?
3-dodecyl-1-hydroxypyrrolidine-2,5-dione has a molecular weight of 283.41 g/mol, XLogP of 4.06, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecyl-1-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 19790039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).