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

C8H13F3N2O3 — CID 170305964

IUPACN-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)C1CCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12N2O.C2HF3O2/c1-7-6(9)5-2-3-8-4-5;3-2(4,5)1(6)7/h5,8H,2-4H2,1H3,(H,7,9);(H,6,7)
InChIKeyCJAQYZJEFPKGNG-UHFFFAOYSA-N
MW242.20 g/mol
LogP-0.02
Rot. Bonds1

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

N-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 170305964) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is N-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID170305964
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC NameN-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)C1CCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12N2O.C2HF3O2/c1-7-6(9)5-2-3-8-4-5;3-2(4,5)1(6)7/h5,8H,2-4H2,1H3,(H,7,9);(H,6,7)
InChIKeyCJAQYZJEFPKGNG-UHFFFAOYSA-N
XLogP-0.02
TPSA78.43 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 ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 170305964) is N-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid is CNC(=O)C1CCNC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is CJAQYZJEFPKGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.C2HF3O2/c1-7-6(9)5-2-3-8-4-5;3-2(4,5)1(6)7/h5,8H,2-4H2,1H3,(H,7,9);(H,6,7).
What are the key properties of N-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid?
N-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 242.20 g/mol, XLogP of -0.02, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 170305964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).