1-(3-aminopropyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate

C9H10F3N2O4- — CID 122407757

IUPAC1-(3-aminopropyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate
SMILESNCCCN1C(=O)C=CC1=O.O=C([O-])C(F)(F)F
InChIInChI=1S/C7H10N2O2.C2HF3O2/c8-4-1-5-9-6(10)2-3-7(9)11;3-2(4,5)1(6)7/h2-3H,1,4-5,8H2;(H,6,7)/p-1
InChIKeyKXQYFSRZPNLIDW-UHFFFAOYSA-M
MW267.18 g/mol
LogP-1.44
Rot. Bonds3

About 1-(3-aminopropyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate

1-(3-aminopropyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate (PubChem CID 122407757) has the molecular formula C9H10F3N2O4- and a molecular weight of 267.18 g/mol. Its IUPAC name is 1-(3-aminopropyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name1-(3-aminopropyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate
PubChem CID122407757
Molecular FormulaC9H10F3N2O4-
Molecular Weight267.18 g/mol
Exact Mass267.06
IUPAC Name1-(3-aminopropyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate
SMILESNCCCN1C(=O)C=CC1=O.O=C([O-])C(F)(F)F
InChIInChI=1S/C7H10N2O2.C2HF3O2/c8-4-1-5-9-6(10)2-3-7(9)11;3-2(4,5)1(6)7/h2-3H,1,4-5,8H2;(H,6,7)/p-1
InChIKeyKXQYFSRZPNLIDW-UHFFFAOYSA-M
XLogP-1.44
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.18
LogP ≤ 5-1.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(5-aminopentyl)pyrrole-2,5-dione;dihydrochloride
CID 172909654
potassium 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 172866330
1-(3-aminopropyl)-5-methylidenepyrrol-2-one
CID 145076519
azane;1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione;propan-1-amine
CID 70219860
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2,2,2-trifluoroethanimidate
CID 20805366
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione;2,2,2-trifluoroacetic acid
CID 155906513
10-(2,5-dioxopyrrol-1-yl)decanamide
CID 134211555
1-(7-amino-6-oxoheptyl)pyrrole-2,5-dione
CID 58173868
1-(12-amino-11-oxododecyl)pyrrole-2,5-dione
CID 58173871
3-(2,5-dioxopyrrol-1-yl)propyl carbonochloridate
CID 153373502
1-(10-hydroxydecyl)pyrrole-2,5-dione
CID 68660027
6-(2,5-dioxopyrrol-1-yl)-N-methylhexanehydrazide;2,2,2-trifluoroacetic acid
CID 70980351

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate?
The IUPAC name of 1-(3-aminopropyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate (CID 122407757) is 1-(3-aminopropyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate.
What is the SMILES notation for 1-(3-aminopropyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate?
The canonical SMILES for 1-(3-aminopropyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate is NCCCN1C(=O)C=CC1=O.O=C([O-])C(F)(F)F.
What is the InChIKey of 1-(3-aminopropyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate?
The InChIKey is KXQYFSRZPNLIDW-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10N2O2.C2HF3O2/c8-4-1-5-9-6(10)2-3-7(9)11;3-2(4,5)1(6)7/h2-3H,1,4-5,8H2;(H,6,7)/p-1.
What are the key properties of 1-(3-aminopropyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate?
1-(3-aminopropyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate has a molecular weight of 267.18 g/mol, XLogP of -1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)pyrrole-2,5-dione;2,2,2-trifluoroacetate is sourced from PubChem (CID 122407757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).