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

C14H23NO4 — CID 166769145

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-propylheptanoate
SMILESCCCCCC(CCC)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H23NO4/c1-3-5-6-8-11(7-4-2)14(18)19-15-12(16)9-10-13(15)17/h11H,3-10H2,1-2H3
InChIKeyBCDZJJXYDRGHST-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.59
Rot. Bonds8

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

(2,5-dioxopyrrolidin-1-yl) 2-propylheptanoate (PubChem CID 166769145) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-propylheptanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-propylheptanoate
PubChem CID166769145
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-propylheptanoate
SMILESCCCCCC(CCC)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H23NO4/c1-3-5-6-8-11(7-4-2)14(18)19-15-12(16)9-10-13(15)17/h11H,3-10H2,1-2H3
InChIKeyBCDZJJXYDRGHST-UHFFFAOYSA-N
XLogP2.59
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(2,5-dioxopyrrolidin-1-yl) 2-propylhexanoate
CID 134214303
(2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate
CID 11206648
(2,5-dioxopyrrolidin-1-yl) 2-acetyloxyhexadecanoate
CID 72989073
(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylhexadecanoate
CID 89263490
[4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl]phenyl] 2-propylhexanoate
CID 143947780
2,5-dioxo-1-(2-propylhexanoyloxy)pyrrolidine-3-sulfonic acid
CID 126610907
(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-(aminomethyl)-3-oxotetradecanoate
CID 154312556
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
2-propylnonanoyl 2-propylnonanoate
CID 54359138
(2,5-dioxopyrrolidin-1-yl) 2-methyl-2-undecyltridecanoate
CID 141487182

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-propylheptanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-propylheptanoate (CID 166769145) is (2,5-dioxopyrrolidin-1-yl) 2-propylheptanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-propylheptanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-propylheptanoate is CCCCCC(CCC)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-propylheptanoate?
The InChIKey is BCDZJJXYDRGHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-3-5-6-8-11(7-4-2)14(18)19-15-12(16)9-10-13(15)17/h11H,3-10H2,1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-propylheptanoate?
(2,5-dioxopyrrolidin-1-yl) 2-propylheptanoate has a molecular weight of 269.34 g/mol, XLogP of 2.59, 8 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-propylheptanoate is sourced from PubChem (CID 166769145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).