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

C11H16F3N3O — CID 79104611

IUPAC2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(N)c1ccn(CC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C11H16F3N3O/c1-2-9(15)8-3-4-17(5-8)6-10(18)16-7-11(12,13)14/h3-5,9H,2,6-7,15H2,1H3,(H,16,18)
InChIKeyXAGNEBVYWBPUEA-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.58
Rot. Bonds5

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

2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 79104611) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID79104611
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(N)c1ccn(CC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C11H16F3N3O/c1-2-9(15)8-3-4-17(5-8)6-10(18)16-7-11(12,13)14/h3-5,9H,2,6-7,15H2,1H3,(H,16,18)
InChIKeyXAGNEBVYWBPUEA-UHFFFAOYSA-N
XLogP1.58
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 79104611) is 2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CCC(N)c1ccn(CC(=O)NCC(F)(F)F)c1.
What is the InChIKey of 2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XAGNEBVYWBPUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-2-9(15)8-3-4-17(5-8)6-10(18)16-7-11(12,13)14/h3-5,9H,2,6-7,15H2,1H3,(H,16,18).
What are the key properties of 2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 263.26 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 79104611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).