11-(2,5-dioxopyrrol-1-yl)undecanoic acid

C15H23NO4 — CID 4618600

IUPAC11-(2,5-dioxopyrrol-1-yl)undecanoic acid
SMILESO=C(O)CCCCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C15H23NO4/c17-13-10-11-14(18)16(13)12-8-6-4-2-1-3-5-7-9-15(19)20/h10-11H,1-9,12H2,(H,19,20)
InChIKeyUVZTZBRGZXIBLZ-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.51
Rot. Bonds11

About 11-(2,5-dioxopyrrol-1-yl)undecanoic acid

11-(2,5-dioxopyrrol-1-yl)undecanoic acid (PubChem CID 4618600) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 11-(2,5-dioxopyrrol-1-yl)undecanoic acid.

Molecular Properties

Compound Name11-(2,5-dioxopyrrol-1-yl)undecanoic acid
PubChem CID4618600
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name11-(2,5-dioxopyrrol-1-yl)undecanoic acid
SMILESO=C(O)CCCCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C15H23NO4/c17-13-10-11-14(18)16(13)12-8-6-4-2-1-3-5-7-9-15(19)20/h10-11H,1-9,12H2,(H,19,20)
InChIKeyUVZTZBRGZXIBLZ-UHFFFAOYSA-N
XLogP2.51
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.51
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
6-Maleimidohexanoic acid
CID 573683
7-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)heptanoic acid
CID 10513373
epsilon-N-citraconylaminocaproate
CID 191265
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
7-[Acryloyl(nonyl)amino]heptanoic acid
CID 71399865
Maleimidoundecanoic acid
CID 18477222
4-(Maleimidoethyl)cyclohexane carboxylic acid
CID 54129126
6-(2,5-Dioxopyrrol-1-yl)-6-fluorohexanoic acid
CID 156695626
Fluoro 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 175311182

Frequently Asked Questions

What is the IUPAC name of 11-(2,5-dioxopyrrol-1-yl)undecanoic acid?
The IUPAC name of 11-(2,5-dioxopyrrol-1-yl)undecanoic acid (CID 4618600) is 11-(2,5-dioxopyrrol-1-yl)undecanoic acid.
What is the SMILES notation for 11-(2,5-dioxopyrrol-1-yl)undecanoic acid?
The canonical SMILES for 11-(2,5-dioxopyrrol-1-yl)undecanoic acid is O=C(O)CCCCCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 11-(2,5-dioxopyrrol-1-yl)undecanoic acid?
The InChIKey is UVZTZBRGZXIBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c17-13-10-11-14(18)16(13)12-8-6-4-2-1-3-5-7-9-15(19)20/h10-11H,1-9,12H2,(H,19,20).
What are the key properties of 11-(2,5-dioxopyrrol-1-yl)undecanoic acid?
11-(2,5-dioxopyrrol-1-yl)undecanoic acid has a molecular weight of 281.35 g/mol, XLogP of 2.51, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,5-dioxopyrrol-1-yl)undecanoic acid is sourced from PubChem (CID 4618600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).