10-(2,5-dioxopyrrol-1-yl)dodecanoic acid

C16H25NO4 — CID 151278217

IUPAC10-(2,5-dioxopyrrol-1-yl)dodecanoic acid
SMILESCCC(CCCCCCCCC(=O)O)N1C(=O)C=CC1=O
InChIInChI=1S/C16H25NO4/c1-2-13(17-14(18)11-12-15(17)19)9-7-5-3-4-6-8-10-16(20)21/h11-13H,2-10H2,1H3,(H,20,21)
InChIKeyNXUQPBSIDFFESZ-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.90
Rot. Bonds11

About 10-(2,5-dioxopyrrol-1-yl)dodecanoic acid

10-(2,5-dioxopyrrol-1-yl)dodecanoic acid (PubChem CID 151278217) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 10-(2,5-dioxopyrrol-1-yl)dodecanoic acid.

Molecular Properties

Compound Name10-(2,5-dioxopyrrol-1-yl)dodecanoic acid
PubChem CID151278217
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name10-(2,5-dioxopyrrol-1-yl)dodecanoic acid
SMILESCCC(CCCCCCCCC(=O)O)N1C(=O)C=CC1=O
InChIInChI=1S/C16H25NO4/c1-2-13(17-14(18)11-12-15(17)19)9-7-5-3-4-6-8-10-16(20)21/h11-13H,2-10H2,1H3,(H,20,21)
InChIKeyNXUQPBSIDFFESZ-UHFFFAOYSA-N
XLogP2.90
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
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

5-(2,5-dioxopyrrol-1-yl)hexanoic acid
CID 23174647
(2,5-dihydroxypyrrol-1-yl) 5-(2,5-dioxopyrrol-1-yl)heptanoate
CID 54028486
(2,5-dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)heptanoate
CID 22159166
13-(2,5-dioxopyrrol-1-yl)tridecanoic acid
CID 71336496
2-(2,5-dioxopyrrol-1-yl)octanoic acid
CID 21116846
2-(2,5-dioxopyrrol-1-yl)undecanoic acid
CID 18477222
6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride
CID 24763401
bis(hexanedioic acid);propane-1,1-diol
CID 157289592
15-hydroxyheptadecanoic acid
CID 14454507
(18R)-18-methylicosanoic acid
CID 71587706
azane;7-ethyloctadecanedioic acid
CID 173365453
27-hydroxynonacosanoic acid
CID 169277027

Frequently Asked Questions

What is the IUPAC name of 10-(2,5-dioxopyrrol-1-yl)dodecanoic acid?
The IUPAC name of 10-(2,5-dioxopyrrol-1-yl)dodecanoic acid (CID 151278217) is 10-(2,5-dioxopyrrol-1-yl)dodecanoic acid.
What is the SMILES notation for 10-(2,5-dioxopyrrol-1-yl)dodecanoic acid?
The canonical SMILES for 10-(2,5-dioxopyrrol-1-yl)dodecanoic acid is CCC(CCCCCCCCC(=O)O)N1C(=O)C=CC1=O.
What is the InChIKey of 10-(2,5-dioxopyrrol-1-yl)dodecanoic acid?
The InChIKey is NXUQPBSIDFFESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-2-13(17-14(18)11-12-15(17)19)9-7-5-3-4-6-8-10-16(20)21/h11-13H,2-10H2,1H3,(H,20,21).
What are the key properties of 10-(2,5-dioxopyrrol-1-yl)dodecanoic acid?
10-(2,5-dioxopyrrol-1-yl)dodecanoic acid has a molecular weight of 295.38 g/mol, XLogP of 2.90, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,5-dioxopyrrol-1-yl)dodecanoic acid is sourced from PubChem (CID 151278217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).