2-(1-methylpyrrol-3-yl)-2-oxo-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide

C10H11F3N2O2 — CID 141429332

IUPAC2-(1-methylpyrrol-3-yl)-2-oxo-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
SMILESC[C@H](NC(=O)C(=O)c1ccn(C)c1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c1-6(10(11,12)13)14-9(17)8(16)7-3-4-15(2)5-7/h3-6H,1-2H3,(H,14,17)/t6-/m0/s1
InChIKeyZNASCWZQPPDKLE-LURJTMIESA-N
MW248.20 g/mol
LogP1.27
Rot. Bonds3

About 2-(1-methylpyrrol-3-yl)-2-oxo-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide

2-(1-methylpyrrol-3-yl)-2-oxo-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (PubChem CID 141429332) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-(1-methylpyrrol-3-yl)-2-oxo-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(1-methylpyrrol-3-yl)-2-oxo-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
PubChem CID141429332
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name2-(1-methylpyrrol-3-yl)-2-oxo-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
SMILESC[C@H](NC(=O)C(=O)c1ccn(C)c1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c1-6(10(11,12)13)14-9(17)8(16)7-3-4-15(2)5-7/h3-6H,1-2H3,(H,14,17)/t6-/m0/s1
InChIKeyZNASCWZQPPDKLE-LURJTMIESA-N
XLogP1.27
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-3-yl)-2-oxo-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
The IUPAC name of 2-(1-methylpyrrol-3-yl)-2-oxo-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (CID 141429332) is 2-(1-methylpyrrol-3-yl)-2-oxo-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide.
What is the SMILES notation for 2-(1-methylpyrrol-3-yl)-2-oxo-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
The canonical SMILES for 2-(1-methylpyrrol-3-yl)-2-oxo-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is C[C@H](NC(=O)C(=O)c1ccn(C)c1)C(F)(F)F.
What is the InChIKey of 2-(1-methylpyrrol-3-yl)-2-oxo-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
The InChIKey is ZNASCWZQPPDKLE-LURJTMIESA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-6(10(11,12)13)14-9(17)8(16)7-3-4-15(2)5-7/h3-6H,1-2H3,(H,14,17)/t6-/m0/s1.
What are the key properties of 2-(1-methylpyrrol-3-yl)-2-oxo-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
2-(1-methylpyrrol-3-yl)-2-oxo-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide has a molecular weight of 248.20 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-3-yl)-2-oxo-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is sourced from PubChem (CID 141429332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).