10-(2,5-dioxopyrrol-1-yl)decyl acetate

C16H25NO4 — CID 175460428

IUPAC10-(2,5-dioxopyrrol-1-yl)decyl acetate
SMILESCC(=O)OCCCCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C16H25NO4/c1-14(18)21-13-9-7-5-3-2-4-6-8-12-17-15(19)10-11-16(17)20/h10-11H,2-9,12-13H2,1H3
InChIKeyMDPUQPBWSLHENR-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.60
Rot. Bonds11

About 10-(2,5-dioxopyrrol-1-yl)decyl acetate

10-(2,5-dioxopyrrol-1-yl)decyl acetate (PubChem CID 175460428) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 10-(2,5-dioxopyrrol-1-yl)decyl acetate.

Molecular Properties

Compound Name10-(2,5-dioxopyrrol-1-yl)decyl acetate
PubChem CID175460428
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name10-(2,5-dioxopyrrol-1-yl)decyl acetate
SMILESCC(=O)OCCCCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C16H25NO4/c1-14(18)21-13-9-7-5-3-2-4-6-8-12-17-15(19)10-11-16(17)20/h10-11H,2-9,12-13H2,1H3
InChIKeyMDPUQPBWSLHENR-UHFFFAOYSA-N
XLogP2.60
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 10-(2,5-dioxopyrrol-1-yl)decyl acetate?
The IUPAC name of 10-(2,5-dioxopyrrol-1-yl)decyl acetate (CID 175460428) is 10-(2,5-dioxopyrrol-1-yl)decyl acetate.
What is the SMILES notation for 10-(2,5-dioxopyrrol-1-yl)decyl acetate?
The canonical SMILES for 10-(2,5-dioxopyrrol-1-yl)decyl acetate is CC(=O)OCCCCCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 10-(2,5-dioxopyrrol-1-yl)decyl acetate?
The InChIKey is MDPUQPBWSLHENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-14(18)21-13-9-7-5-3-2-4-6-8-12-17-15(19)10-11-16(17)20/h10-11H,2-9,12-13H2,1H3.
What are the key properties of 10-(2,5-dioxopyrrol-1-yl)decyl acetate?
10-(2,5-dioxopyrrol-1-yl)decyl acetate has a molecular weight of 295.38 g/mol, XLogP of 2.60, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,5-dioxopyrrol-1-yl)decyl acetate is sourced from PubChem (CID 175460428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).