N-[5-(2,5-dioxopyrrol-1-yl)pentyl]-2,2,2-trifluoroacetamide

C11H13F3N2O3 — CID 59427099

IUPACN-[5-(2,5-dioxopyrrol-1-yl)pentyl]-2,2,2-trifluoroacetamide
SMILESO=C1C=CC(=O)N1CCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C11H13F3N2O3/c12-11(13,14)10(19)15-6-2-1-3-7-16-8(17)4-5-9(16)18/h4-5H,1-3,6-7H2,(H,15,19)
InChIKeyTYDAEGNKXOBQEQ-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.76
Rot. Bonds6

About N-[5-(2,5-dioxopyrrol-1-yl)pentyl]-2,2,2-trifluoroacetamide

N-[5-(2,5-dioxopyrrol-1-yl)pentyl]-2,2,2-trifluoroacetamide (PubChem CID 59427099) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is N-[5-(2,5-dioxopyrrol-1-yl)pentyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[5-(2,5-dioxopyrrol-1-yl)pentyl]-2,2,2-trifluoroacetamide
PubChem CID59427099
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC NameN-[5-(2,5-dioxopyrrol-1-yl)pentyl]-2,2,2-trifluoroacetamide
SMILESO=C1C=CC(=O)N1CCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C11H13F3N2O3/c12-11(13,14)10(19)15-6-2-1-3-7-16-8(17)4-5-9(16)18/h4-5H,1-3,6-7H2,(H,15,19)
InChIKeyTYDAEGNKXOBQEQ-UHFFFAOYSA-N
XLogP0.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.76
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dioxopyrrol-1-yl)pentyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[5-(2,5-dioxopyrrol-1-yl)pentyl]-2,2,2-trifluoroacetamide (CID 59427099) is N-[5-(2,5-dioxopyrrol-1-yl)pentyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[5-(2,5-dioxopyrrol-1-yl)pentyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[5-(2,5-dioxopyrrol-1-yl)pentyl]-2,2,2-trifluoroacetamide is O=C1C=CC(=O)N1CCCCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[5-(2,5-dioxopyrrol-1-yl)pentyl]-2,2,2-trifluoroacetamide?
The InChIKey is TYDAEGNKXOBQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c12-11(13,14)10(19)15-6-2-1-3-7-16-8(17)4-5-9(16)18/h4-5H,1-3,6-7H2,(H,15,19).
What are the key properties of N-[5-(2,5-dioxopyrrol-1-yl)pentyl]-2,2,2-trifluoroacetamide?
N-[5-(2,5-dioxopyrrol-1-yl)pentyl]-2,2,2-trifluoroacetamide has a molecular weight of 278.23 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dioxopyrrol-1-yl)pentyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 59427099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).