1-(5-aminopentyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid

C11H15F3N2O4 — CID 23289134

IUPAC1-(5-aminopentyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid
SMILESNCCCCCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C9H14N2O2.C2HF3O2/c10-6-2-1-3-7-11-8(12)4-5-9(11)13;3-2(4,5)1(6)7/h4-5H,1-3,6-7,10H2;(H,6,7)
InChIKeyLJWKDXOJBJSKTA-UHFFFAOYSA-N
MW296.24 g/mol
LogP0.67
Rot. Bonds5

About 1-(5-aminopentyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid

1-(5-aminopentyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid (PubChem CID 23289134) has the molecular formula C11H15F3N2O4 and a molecular weight of 296.24 g/mol. Its IUPAC name is 1-(5-aminopentyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(5-aminopentyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid
PubChem CID23289134
Molecular FormulaC11H15F3N2O4
Molecular Weight296.24 g/mol
Exact Mass296.10
IUPAC Name1-(5-aminopentyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid
SMILESNCCCCCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C9H14N2O2.C2HF3O2/c10-6-2-1-3-7-11-8(12)4-5-9(11)13;3-2(4,5)1(6)7/h4-5H,1-3,6-7,10H2;(H,6,7)
InChIKeyLJWKDXOJBJSKTA-UHFFFAOYSA-N
XLogP0.67
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 50.67
H-Bond Donors ≤ 52
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 1-(5-aminopentyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(5-aminopentyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid (CID 23289134) is 1-(5-aminopentyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(5-aminopentyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(5-aminopentyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid is NCCCCCN1C(=O)C=CC1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(5-aminopentyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid?
The InChIKey is LJWKDXOJBJSKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2.C2HF3O2/c10-6-2-1-3-7-11-8(12)4-5-9(11)13;3-2(4,5)1(6)7/h4-5H,1-3,6-7,10H2;(H,6,7).
What are the key properties of 1-(5-aminopentyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid?
1-(5-aminopentyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid has a molecular weight of 296.24 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminopentyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 23289134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).