2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C12H15F3N2O2 — CID 79103453

IUPAC2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1ccc(C(O)C2CC2)c1)NCC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)7-16-10(18)6-17-4-3-9(5-17)11(19)8-1-2-8/h3-5,8,11,19H,1-2,6-7H2,(H,16,18)
InChIKeyABKVOJBHHKIQOH-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.61
Rot. Bonds5

About 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 79103453) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID79103453
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1ccc(C(O)C2CC2)c1)NCC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)7-16-10(18)6-17-4-3-9(5-17)11(19)8-1-2-8/h3-5,8,11,19H,1-2,6-7H2,(H,16,18)
InChIKeyABKVOJBHHKIQOH-UHFFFAOYSA-N
XLogP1.61
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 79103453) is 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1ccc(C(O)C2CC2)c1)NCC(F)(F)F.
What is the InChIKey of 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ABKVOJBHHKIQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c13-12(14,15)7-16-10(18)6-17-4-3-9(5-17)11(19)8-1-2-8/h3-5,8,11,19H,1-2,6-7H2,(H,16,18).
What are the key properties of 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 276.26 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 79103453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).