6-(2,5-dioxopyrrol-1-yl)decanoic acid

C14H21NO4 — CID 18512672

IUPAC6-(2,5-dioxopyrrol-1-yl)decanoic acid
SMILESCCCCC(CCCCC(=O)O)N1C(=O)C=CC1=O
InChIInChI=1S/C14H21NO4/c1-2-3-6-11(7-4-5-8-14(18)19)15-12(16)9-10-13(15)17/h9-11H,2-8H2,1H3,(H,18,19)
InChIKeyCSLAERDWNFJTBF-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.12
Rot. Bonds9

About 6-(2,5-dioxopyrrol-1-yl)decanoic acid

6-(2,5-dioxopyrrol-1-yl)decanoic acid (PubChem CID 18512672) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)decanoic acid.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)decanoic acid
PubChem CID18512672
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name6-(2,5-dioxopyrrol-1-yl)decanoic acid
SMILESCCCCC(CCCCC(=O)O)N1C(=O)C=CC1=O
InChIInChI=1S/C14H21NO4/c1-2-3-6-11(7-4-5-8-14(18)19)15-12(16)9-10-13(15)17/h9-11H,2-8H2,1H3,(H,18,19)
InChIKeyCSLAERDWNFJTBF-UHFFFAOYSA-N
XLogP2.12
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrol-1-yl)decanoic acid?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)decanoic acid (CID 18512672) is 6-(2,5-dioxopyrrol-1-yl)decanoic acid.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)decanoic acid?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)decanoic acid is CCCCC(CCCCC(=O)O)N1C(=O)C=CC1=O.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)decanoic acid?
The InChIKey is CSLAERDWNFJTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-2-3-6-11(7-4-5-8-14(18)19)15-12(16)9-10-13(15)17/h9-11H,2-8H2,1H3,(H,18,19).
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)decanoic acid?
6-(2,5-dioxopyrrol-1-yl)decanoic acid has a molecular weight of 267.32 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)decanoic acid is sourced from PubChem (CID 18512672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).