3,3,3-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide

C10H15F3N2O2 — CID 86922857

IUPAC3,3,3-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILESO=C(CC(F)(F)F)NCCCN1CCCC1=O
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)7-8(16)14-4-2-6-15-5-1-3-9(15)17/h1-7H2,(H,14,16)
InChIKeyXCAHCVXXXPVUJJ-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.07
Rot. Bonds5

About 3,3,3-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide

3,3,3-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide (PubChem CID 86922857) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
PubChem CID86922857
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name3,3,3-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILESO=C(CC(F)(F)F)NCCCN1CCCC1=O
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)7-8(16)14-4-2-6-15-5-1-3-9(15)17/h1-7H2,(H,14,16)
InChIKeyXCAHCVXXXPVUJJ-UHFFFAOYSA-N
XLogP1.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide (CID 86922857) is 3,3,3-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide is O=C(CC(F)(F)F)NCCCN1CCCC1=O.
What is the InChIKey of 3,3,3-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The InChIKey is XCAHCVXXXPVUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c11-10(12,13)7-8(16)14-4-2-6-15-5-1-3-9(15)17/h1-7H2,(H,14,16).
What are the key properties of 3,3,3-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
3,3,3-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide has a molecular weight of 252.24 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide is sourced from PubChem (CID 86922857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).