2-(2,5-dioxopyrrol-1-yl)hexanoyl chloride

C10H12ClNO3 — CID 86594965

IUPAC2-(2,5-dioxopyrrol-1-yl)hexanoyl chloride
SMILESCCCCC(C(=O)Cl)N1C(=O)C=CC1=O
InChIInChI=1S/C10H12ClNO3/c1-2-3-4-7(10(11)15)12-8(13)5-6-9(12)14/h5-7H,2-4H2,1H3
InChIKeyURRSAPYMNBDNRH-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.24
Rot. Bonds5

About 2-(2,5-dioxopyrrol-1-yl)hexanoyl chloride

2-(2,5-dioxopyrrol-1-yl)hexanoyl chloride (PubChem CID 86594965) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)hexanoyl chloride.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)hexanoyl chloride
PubChem CID86594965
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name2-(2,5-dioxopyrrol-1-yl)hexanoyl chloride
SMILESCCCCC(C(=O)Cl)N1C(=O)C=CC1=O
InChIInChI=1S/C10H12ClNO3/c1-2-3-4-7(10(11)15)12-8(13)5-6-9(12)14/h5-7H,2-4H2,1H3
InChIKeyURRSAPYMNBDNRH-UHFFFAOYSA-N
XLogP1.24
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dioxopyrrol-1-yl)octanoic acid
CID 21116846
2-(2,5-dioxopyrrol-1-yl)undecanoic acid
CID 18477222
zinc;2-(2,5-dioxopyrrol-1-yl)undecanoate;prop-2-enoate
CID 66635941
calcium;2-(2,5-dioxopyrrol-1-yl)undecanoate;prop-2-enoate
CID 66635943
1-(1-hydroxyhexyl)pyrrole-2,5-dione
CID 121483359
octyl 2-(2,5-dioxopyrrol-1-yl)butanoate
CID 139844277
2-(2,5-dioxopyrrol-1-yl)pentanehydrazide
CID 175837532
1-heptan-2-ylpyrrole-2,5-dione
CID 22388775
2-(2,5-dioxopyrrol-1-yl)-6-(methylamino)hexanoic acid;ethane
CID 142561754
1-[1-[1-(2,5-dioxopyrrol-1-yl)hexylamino]hexyl]pyrrole-2,5-dione
CID 22722392
2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexanoic acid
CID 19591320
N-diazo-1-(2,5-dioxopyrrol-1-yl)pentane-1-sulfonamide
CID 88636841

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)hexanoyl chloride?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)hexanoyl chloride (CID 86594965) is 2-(2,5-dioxopyrrol-1-yl)hexanoyl chloride.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)hexanoyl chloride?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)hexanoyl chloride is CCCCC(C(=O)Cl)N1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)hexanoyl chloride?
The InChIKey is URRSAPYMNBDNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-2-3-4-7(10(11)15)12-8(13)5-6-9(12)14/h5-7H,2-4H2,1H3.
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)hexanoyl chloride?
2-(2,5-dioxopyrrol-1-yl)hexanoyl chloride has a molecular weight of 229.66 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)hexanoyl chloride is sourced from PubChem (CID 86594965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).