3-methyl-1-N-(2,2,2-trifluoroethyl)pyrrolidine-1,3-dicarboxamide

C9H14F3N3O2 — CID 114070516

IUPAC3-methyl-1-N-(2,2,2-trifluoroethyl)pyrrolidine-1,3-dicarboxamide
SMILESCC1(C(N)=O)CCN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C9H14F3N3O2/c1-8(6(13)16)2-3-15(5-8)7(17)14-4-9(10,11)12/h2-5H2,1H3,(H2,13,16)(H,14,17)
InChIKeyVZBZPAIOJZJSGX-UHFFFAOYSA-N
MW253.22 g/mol
LogP0.46
Rot. Bonds2

About 3-methyl-1-N-(2,2,2-trifluoroethyl)pyrrolidine-1,3-dicarboxamide

3-methyl-1-N-(2,2,2-trifluoroethyl)pyrrolidine-1,3-dicarboxamide (PubChem CID 114070516) has the molecular formula C9H14F3N3O2 and a molecular weight of 253.22 g/mol. Its IUPAC name is 3-methyl-1-N-(2,2,2-trifluoroethyl)pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-methyl-1-N-(2,2,2-trifluoroethyl)pyrrolidine-1,3-dicarboxamide
PubChem CID114070516
Molecular FormulaC9H14F3N3O2
Molecular Weight253.22 g/mol
Exact Mass253.10
IUPAC Name3-methyl-1-N-(2,2,2-trifluoroethyl)pyrrolidine-1,3-dicarboxamide
SMILESCC1(C(N)=O)CCN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C9H14F3N3O2/c1-8(6(13)16)2-3-15(5-8)7(17)14-4-9(10,11)12/h2-5H2,1H3,(H2,13,16)(H,14,17)
InChIKeyVZBZPAIOJZJSGX-UHFFFAOYSA-N
XLogP0.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-N-(2,2,2-trifluoroethyl)pyrrolidine-1,3-dicarboxamide?
The IUPAC name of 3-methyl-1-N-(2,2,2-trifluoroethyl)pyrrolidine-1,3-dicarboxamide (CID 114070516) is 3-methyl-1-N-(2,2,2-trifluoroethyl)pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for 3-methyl-1-N-(2,2,2-trifluoroethyl)pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for 3-methyl-1-N-(2,2,2-trifluoroethyl)pyrrolidine-1,3-dicarboxamide is CC1(C(N)=O)CCN(C(=O)NCC(F)(F)F)C1.
What is the InChIKey of 3-methyl-1-N-(2,2,2-trifluoroethyl)pyrrolidine-1,3-dicarboxamide?
The InChIKey is VZBZPAIOJZJSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2/c1-8(6(13)16)2-3-15(5-8)7(17)14-4-9(10,11)12/h2-5H2,1H3,(H2,13,16)(H,14,17).
What are the key properties of 3-methyl-1-N-(2,2,2-trifluoroethyl)pyrrolidine-1,3-dicarboxamide?
3-methyl-1-N-(2,2,2-trifluoroethyl)pyrrolidine-1,3-dicarboxamide has a molecular weight of 253.22 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-N-(2,2,2-trifluoroethyl)pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 114070516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).