(2,5-dioxopyrrolidin-1-yl) 2-propylhexanoate

C13H21NO4 — CID 134214303

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-propylhexanoate
SMILESCCCCC(CCC)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C13H21NO4/c1-3-5-7-10(6-4-2)13(17)18-14-11(15)8-9-12(14)16/h10H,3-9H2,1-2H3
InChIKeyFHFDBTQEJSYPLN-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.20
Rot. Bonds7

About (2,5-dioxopyrrolidin-1-yl) 2-propylhexanoate

(2,5-dioxopyrrolidin-1-yl) 2-propylhexanoate (PubChem CID 134214303) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-propylhexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-propylhexanoate
PubChem CID134214303
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-propylhexanoate
SMILESCCCCC(CCC)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C13H21NO4/c1-3-5-7-10(6-4-2)13(17)18-14-11(15)8-9-12(14)16/h10H,3-9H2,1-2H3
InChIKeyFHFDBTQEJSYPLN-UHFFFAOYSA-N
XLogP2.20
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 2-propylhexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-propylheptanoate
CID 166769145
(2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate
CID 11206648
[4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl]phenyl] 2-propylhexanoate
CID 143947780
2,5-dioxo-1-(2-propylhexanoyloxy)pyrrolidine-3-sulfonic acid
CID 126610907
tributyl-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphanium
CID 102579235
(2,5-dioxopyrrolidin-1-yl) 2-acetyloxyhexadecanoate
CID 72989073
(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylhexadecanoate
CID 89263490
1-O-(2,3-dimethoxypropyl) 3-O-(2,5-dioxopyrrolidin-1-yl) 2-butylpropanedioate
CID 88945030
(2,5-dioxopyrrolidin-1-yl) 2-(2-aminoethyl)-3-oxoicosanoate
CID 87093708
(2,5-dioxopyrrolidin-1-yl) 2-[3-[2-(4-methoxybutoxymethyl)-3-(3-methoxypropoxy)-2-(3-methoxypropoxymethyl)propoxy]propyl]-6-[3-(3-methoxypropoxy)-2,2-bis(3-methoxypropoxymethyl)propoxy]hexanoate
CID 158513761
(2,5-dioxopyrrolidin-1-yl) 2,2-dimethylhexanoate
CID 134576769
(2,5-dioxopyrrolidin-1-yl) 2-(aminomethyl)-3-oxotetradecanoate
CID 154312556

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-propylhexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-propylhexanoate (CID 134214303) is (2,5-dioxopyrrolidin-1-yl) 2-propylhexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-propylhexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-propylhexanoate is CCCCC(CCC)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-propylhexanoate?
The InChIKey is FHFDBTQEJSYPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-3-5-7-10(6-4-2)13(17)18-14-11(15)8-9-12(14)16/h10H,3-9H2,1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-propylhexanoate?
(2,5-dioxopyrrolidin-1-yl) 2-propylhexanoate has a molecular weight of 255.31 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-propylhexanoate is sourced from PubChem (CID 134214303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).