1-(5-aminopentyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate

C11H14F3N2O4- — CID 126961498

IUPAC1-(5-aminopentyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate
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)/p-1
InChIKeyLJWKDXOJBJSKTA-UHFFFAOYSA-M
MW295.24 g/mol
LogP-0.66
Rot. Bonds5

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

1-(5-aminopentyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate (PubChem CID 126961498) has the molecular formula C11H14F3N2O4- and a molecular weight of 295.24 g/mol. Its IUPAC name is 1-(5-aminopentyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name1-(5-aminopentyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate
PubChem CID126961498
Molecular FormulaC11H14F3N2O4-
Molecular Weight295.24 g/mol
Exact Mass295.09
IUPAC Name1-(5-aminopentyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate
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)/p-1
InChIKeyLJWKDXOJBJSKTA-UHFFFAOYSA-M
XLogP-0.66
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-trifluoroacetate?
The IUPAC name of 1-(5-aminopentyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate (CID 126961498) is 1-(5-aminopentyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate.
What is the SMILES notation for 1-(5-aminopentyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate?
The canonical SMILES for 1-(5-aminopentyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate 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-trifluoroacetate?
The InChIKey is LJWKDXOJBJSKTA-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 1-(5-aminopentyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate?
1-(5-aminopentyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate has a molecular weight of 295.24 g/mol, XLogP of -0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminopentyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate is sourced from PubChem (CID 126961498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).