3-(2,5-dioxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

C10H13F3N2O4 — CID 103723121

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NCC(O)C(F)(F)F
InChIInChI=1S/C10H13F3N2O4/c11-10(12,13)6(16)5-14-7(17)3-4-15-8(18)1-2-9(15)19/h6,16H,1-5H2,(H,14,17)
InChIKeyWEQHGAIQKDNIDO-UHFFFAOYSA-N
MW282.22 g/mol
LogP-0.44
Rot. Bonds5

About 3-(2,5-dioxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (PubChem CID 103723121) has the molecular formula C10H13F3N2O4 and a molecular weight of 282.22 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
PubChem CID103723121
Molecular FormulaC10H13F3N2O4
Molecular Weight282.22 g/mol
Exact Mass282.08
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NCC(O)C(F)(F)F
InChIInChI=1S/C10H13F3N2O4/c11-10(12,13)6(16)5-14-7(17)3-4-15-8(18)1-2-9(15)19/h6,16H,1-5H2,(H,14,17)
InChIKeyWEQHGAIQKDNIDO-UHFFFAOYSA-N
XLogP-0.44
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (CID 103723121) is 3-(2,5-dioxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is O=C(CCN1C(=O)CCC1=O)NCC(O)C(F)(F)F.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The InChIKey is WEQHGAIQKDNIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O4/c11-10(12,13)6(16)5-14-7(17)3-4-15-8(18)1-2-9(15)19/h6,16H,1-5H2,(H,14,17).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide has a molecular weight of 282.22 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is sourced from PubChem (CID 103723121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).