2-(2,5-dioxopyrrol-1-yl)nonanoic acid

C13H19NO4 — CID 22114212

IUPAC2-(2,5-dioxopyrrol-1-yl)nonanoic acid
SMILESCCCCCCCC(C(=O)O)N1C(=O)C=CC1=O
InChIInChI=1S/C13H19NO4/c1-2-3-4-5-6-7-10(13(17)18)14-11(15)8-9-12(14)16/h8-10H,2-7H2,1H3,(H,17,18)
InChIKeyYQKWGPYNCRDVHC-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.73
Rot. Bonds8

About 2-(2,5-dioxopyrrol-1-yl)nonanoic acid

2-(2,5-dioxopyrrol-1-yl)nonanoic acid (PubChem CID 22114212) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)nonanoic acid.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)nonanoic acid
PubChem CID22114212
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-(2,5-dioxopyrrol-1-yl)nonanoic acid
SMILESCCCCCCCC(C(=O)O)N1C(=O)C=CC1=O
InChIInChI=1S/C13H19NO4/c1-2-3-4-5-6-7-10(13(17)18)14-11(15)8-9-12(14)16/h8-10H,2-7H2,1H3,(H,17,18)
InChIKeyYQKWGPYNCRDVHC-UHFFFAOYSA-N
XLogP1.73
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.73
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

2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-octanoic acid
CID 92656
AM-10
CID 4618600
7-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)heptanoic acid
CID 10513373
9-(2,5-dioxopyrrol-1-yl)nonanoic Acid
CID 10729548
10-(2,5-dioxopyrrol-1-yl)decanoic Acid
CID 10801786
12-Maleimido-dodecanoic Acid
CID 15256755
Maleimidoundecanoic acid
CID 18477222
(Acryloylamino)undecanoic acid
CID 19364831
Maleimidocaproic acid
CID 22352954
11-[Carboxymethyl(prop-2-enoyl)amino]undecanoic acid
CID 11857915
18-Maleimidooctadecanoic acid
CID 15232944
2-(3-Methyl-2,5-dioxopyrrol-1-yl)undecanoic acid
CID 17793852

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)nonanoic acid?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)nonanoic acid (CID 22114212) is 2-(2,5-dioxopyrrol-1-yl)nonanoic acid.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)nonanoic acid?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)nonanoic acid is CCCCCCCC(C(=O)O)N1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)nonanoic acid?
The InChIKey is YQKWGPYNCRDVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-2-3-4-5-6-7-10(13(17)18)14-11(15)8-9-12(14)16/h8-10H,2-7H2,1H3,(H,17,18).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)nonanoic acid?
2-(2,5-dioxopyrrol-1-yl)nonanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)nonanoic acid is sourced from PubChem (CID 22114212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).