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

C14H21NO4 — CID 10801786

IUPAC10-(2,5-dioxopyrrol-1-yl)decanoic acid
SMILESO=C(O)CCCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H21NO4/c16-12-9-10-13(17)15(12)11-7-5-3-1-2-4-6-8-14(18)19/h9-10H,1-8,11H2,(H,18,19)
InChIKeyKUSRFCYGKCEASX-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.12
Rot. Bonds10

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

10-(2,5-dioxopyrrol-1-yl)decanoic acid (PubChem CID 10801786) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 10-(2,5-dioxopyrrol-1-yl)decanoic acid.

Molecular Properties

Compound Name10-(2,5-dioxopyrrol-1-yl)decanoic acid
PubChem CID10801786
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name10-(2,5-dioxopyrrol-1-yl)decanoic acid
SMILESO=C(O)CCCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H21NO4/c16-12-9-10-13(17)15(12)11-7-5-3-1-2-4-6-8-14(18)19/h9-10H,1-8,11H2,(H,18,19)
InChIKeyKUSRFCYGKCEASX-UHFFFAOYSA-N
XLogP2.12
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.12
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
AM-10
CID 4618600
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
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 10-(2,5-dioxopyrrol-1-yl)decanoic acid?
The IUPAC name of 10-(2,5-dioxopyrrol-1-yl)decanoic acid (CID 10801786) is 10-(2,5-dioxopyrrol-1-yl)decanoic acid.
What is the SMILES notation for 10-(2,5-dioxopyrrol-1-yl)decanoic acid?
The canonical SMILES for 10-(2,5-dioxopyrrol-1-yl)decanoic acid is O=C(O)CCCCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 10-(2,5-dioxopyrrol-1-yl)decanoic acid?
The InChIKey is KUSRFCYGKCEASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c16-12-9-10-13(17)15(12)11-7-5-3-1-2-4-6-8-14(18)19/h9-10H,1-8,11H2,(H,18,19).
What are the key properties of 10-(2,5-dioxopyrrol-1-yl)decanoic acid?
10-(2,5-dioxopyrrol-1-yl)decanoic acid has a molecular weight of 267.32 g/mol, XLogP of 2.12, 10 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)decanoic acid is sourced from PubChem (CID 10801786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).