2-[3-(methylaminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C10H14F3N3O — CID 66405899

IUPAC2-[3-(methylaminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCNCc1ccn(CC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C10H14F3N3O/c1-14-4-8-2-3-16(5-8)6-9(17)15-7-10(11,12)13/h2-3,5,14H,4,6-7H2,1H3,(H,15,17)
InChIKeyIRCNDHFYLSELRY-UHFFFAOYSA-N
MW249.24 g/mol
LogP0.89
Rot. Bonds5

About 2-[3-(methylaminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[3-(methylaminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 66405899) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-[3-(methylaminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[3-(methylaminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID66405899
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name2-[3-(methylaminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCNCc1ccn(CC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C10H14F3N3O/c1-14-4-8-2-3-16(5-8)6-9(17)15-7-10(11,12)13/h2-3,5,14H,4,6-7H2,1H3,(H,15,17)
InChIKeyIRCNDHFYLSELRY-UHFFFAOYSA-N
XLogP0.89
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylaminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[3-(methylaminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 66405899) is 2-[3-(methylaminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[3-(methylaminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[3-(methylaminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CNCc1ccn(CC(=O)NCC(F)(F)F)c1.
What is the InChIKey of 2-[3-(methylaminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IRCNDHFYLSELRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-14-4-8-2-3-16(5-8)6-9(17)15-7-10(11,12)13/h2-3,5,14H,4,6-7H2,1H3,(H,15,17).
What are the key properties of 2-[3-(methylaminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[3-(methylaminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 249.24 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylaminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 66405899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).