2-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid

C8H13F3N2O3 — CID 175921954

IUPAC2-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC1NCCC1C(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12N2O.C2HF3O2/c1-4-5(6(7)9)2-3-8-4;3-2(4,5)1(6)7/h4-5,8H,2-3H2,1H3,(H2,7,9);(H,6,7)
InChIKeyJYKZPJOFLAKMCS-UHFFFAOYSA-N
MW242.20 g/mol
LogP0.10
Rot. Bonds1

About 2-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid

2-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 175921954) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID175921954
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Name2-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC1NCCC1C(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12N2O.C2HF3O2/c1-4-5(6(7)9)2-3-8-4;3-2(4,5)1(6)7/h4-5,8H,2-3H2,1H3,(H2,7,9);(H,6,7)
InChIKeyJYKZPJOFLAKMCS-UHFFFAOYSA-N
XLogP0.10
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 175921954) is 2-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid is CC1NCCC1C(N)=O.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is JYKZPJOFLAKMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.C2HF3O2/c1-4-5(6(7)9)2-3-8-4;3-2(4,5)1(6)7/h4-5,8H,2-3H2,1H3,(H2,7,9);(H,6,7).
What are the key properties of 2-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid?
2-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 242.20 g/mol, XLogP of 0.10, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175921954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).