6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride

C10H14ClNO4 — CID 24763401

IUPAC6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride
SMILESCl.O=C(O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO4.ClH/c12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)15;/h5-6H,1-4,7H2,(H,14,15);1H
InChIKeyRGTUTDCJZRNQHL-UHFFFAOYSA-N
MW247.68 g/mol
LogP0.98
Rot. Bonds6

About 6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride

6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride (PubChem CID 24763401) has the molecular formula C10H14ClNO4 and a molecular weight of 247.68 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride
PubChem CID24763401
Molecular FormulaC10H14ClNO4
Molecular Weight247.68 g/mol
Exact Mass247.06
IUPAC Name6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride
SMILESCl.O=C(O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO4.ClH/c12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)15;/h5-6H,1-4,7H2,(H,14,15);1H
InChIKeyRGTUTDCJZRNQHL-UHFFFAOYSA-N
XLogP0.98
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 50.98
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'}

Analyze 6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

13-(2,5-dioxopyrrol-1-yl)tridecanoic acid
CID 71336496
6-(2,5-dioxopyrrol-1-yl)hexanoic acid;pyrrolidine-2,5-dione
CID 155715117
10-(2,5-dioxopyrrol-1-yl)decanamide
CID 134211555
CID 170745532
CID 170745532
ethane;1-(6-oxoheptyl)pyrrole-2,5-dione
CID 145323318
22-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]-20-oxodocosanoic acid
CID 123221615
3-[2-[2-[2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 162034103
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 162034105
1-(7-amino-6-oxoheptyl)pyrrole-2,5-dione
CID 58173868
1-(12-amino-11-oxododecyl)pyrrole-2,5-dione
CID 58173871
ethene;1-(6-oxoheptyl)pyrrole-2,5-dione
CID 144940769
1-(10-hydroxydecyl)pyrrole-2,5-dione
CID 68660027

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride (CID 24763401) is 6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride is Cl.O=C(O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride?
The InChIKey is RGTUTDCJZRNQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4.ClH/c12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)15;/h5-6H,1-4,7H2,(H,14,15);1H.
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride?
6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride has a molecular weight of 247.68 g/mol, XLogP of 0.98, 6 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)hexanoic acid;hydrochloride is sourced from PubChem (CID 24763401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).