(2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate

C15H17NO6 — CID 122578379

IUPAC(2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESO=C(CCCCCN1C(=O)C=CC1=O)OC1C(=O)CCC1=O
InChIInChI=1S/C15H17NO6/c17-10-5-6-11(18)15(10)22-14(21)4-2-1-3-9-16-12(19)7-8-13(16)20/h7-8,15H,1-6,9H2
InChIKeyUASDKSVNENJORL-UHFFFAOYSA-N
MW307.30 g/mol
LogP0.32
Rot. Bonds7

About (2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate

(2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate (PubChem CID 122578379) has the molecular formula C15H17NO6 and a molecular weight of 307.30 g/mol. Its IUPAC name is (2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate.

Molecular Properties

Compound Name(2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
PubChem CID122578379
Molecular FormulaC15H17NO6
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name(2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESO=C(CCCCCN1C(=O)C=CC1=O)OC1C(=O)CCC1=O
InChIInChI=1S/C15H17NO6/c17-10-5-6-11(18)15(10)22-14(21)4-2-1-3-9-16-12(19)7-8-13(16)20/h7-8,15H,1-6,9H2
InChIKeyUASDKSVNENJORL-UHFFFAOYSA-N
XLogP0.32
TPSA97.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The IUPAC name of (2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate (CID 122578379) is (2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate.
What is the SMILES notation for (2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The canonical SMILES for (2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate is O=C(CCCCCN1C(=O)C=CC1=O)OC1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The InChIKey is UASDKSVNENJORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO6/c17-10-5-6-11(18)15(10)22-14(21)4-2-1-3-9-16-12(19)7-8-13(16)20/h7-8,15H,1-6,9H2.
What are the key properties of (2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate?
(2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate has a molecular weight of 307.30 g/mol, XLogP of 0.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate is sourced from PubChem (CID 122578379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).