6-(2,5-dioxopyrrol-1-yl)hexanoyl sulfite

C10H12NO6S- — CID 174655893

IUPAC6-(2,5-dioxopyrrol-1-yl)hexanoyl sulfite
SMILESO=C(CCCCCN1C(=O)C=CC1=O)OS(=O)[O-]
InChIInChI=1S/C10H13NO6S/c12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)17-18(15)16/h5-6H,1-4,7H2,(H,15,16)/p-1
InChIKeyBXNUSFPLULMDLN-UHFFFAOYSA-M
MW274.27 g/mol
LogP-0.19
Rot. Bonds7

About 6-(2,5-dioxopyrrol-1-yl)hexanoyl sulfite

6-(2,5-dioxopyrrol-1-yl)hexanoyl sulfite (PubChem CID 174655893) has the molecular formula C10H12NO6S- and a molecular weight of 274.27 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)hexanoyl sulfite.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)hexanoyl sulfite
PubChem CID174655893
Molecular FormulaC10H12NO6S-
Molecular Weight274.27 g/mol
Exact Mass274.04
IUPAC Name6-(2,5-dioxopyrrol-1-yl)hexanoyl sulfite
SMILESO=C(CCCCCN1C(=O)C=CC1=O)OS(=O)[O-]
InChIInChI=1S/C10H13NO6S/c12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)17-18(15)16/h5-6H,1-4,7H2,(H,15,16)/p-1
InChIKeyBXNUSFPLULMDLN-UHFFFAOYSA-M
XLogP-0.19
TPSA103.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]butyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 22084354
10-(2,5-dioxopyrrol-1-yl)decanamide
CID 134211555
13-(2,5-dioxopyrrol-1-yl)tridecanoic acid
CID 71336496
6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride
CID 24763401
CID 170745532
CID 170745532
ethane;1-(6-oxoheptyl)pyrrole-2,5-dione
CID 145323318
2-(2,5-dioxopyrrol-1-yl)ethyl 6-hydroxyhexanoate
CID 122577668
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
potassium 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 172866330

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrol-1-yl)hexanoyl sulfite?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)hexanoyl sulfite (CID 174655893) is 6-(2,5-dioxopyrrol-1-yl)hexanoyl sulfite.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)hexanoyl sulfite?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)hexanoyl sulfite is O=C(CCCCCN1C(=O)C=CC1=O)OS(=O)[O-].
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)hexanoyl sulfite?
The InChIKey is BXNUSFPLULMDLN-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13NO6S/c12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)17-18(15)16/h5-6H,1-4,7H2,(H,15,16)/p-1.
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)hexanoyl sulfite?
6-(2,5-dioxopyrrol-1-yl)hexanoyl sulfite has a molecular weight of 274.27 g/mol, XLogP of -0.19, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)hexanoyl sulfite is sourced from PubChem (CID 174655893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).