1-(3-fluoropyrrol-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone

C10H15FN2O2 — CID 141108474

IUPAC1-(3-fluoropyrrol-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone
SMILESCC(C)(CO)NCC(=O)n1ccc(F)c1
InChIInChI=1S/C10H15FN2O2/c1-10(2,7-14)12-5-9(15)13-4-3-8(11)6-13/h3-4,6,12,14H,5,7H2,1-2H3
InChIKeyUUQLCEOJDKKVIG-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.63
Rot. Bonds4

About 1-(3-fluoropyrrol-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone

1-(3-fluoropyrrol-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone (PubChem CID 141108474) has the molecular formula C10H15FN2O2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 1-(3-fluoropyrrol-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(3-fluoropyrrol-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone
PubChem CID141108474
Molecular FormulaC10H15FN2O2
Molecular Weight214.24 g/mol
Exact Mass214.11
IUPAC Name1-(3-fluoropyrrol-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone
SMILESCC(C)(CO)NCC(=O)n1ccc(F)c1
InChIInChI=1S/C10H15FN2O2/c1-10(2,7-14)12-5-9(15)13-4-3-8(11)6-13/h3-4,6,12,14H,5,7H2,1-2H3
InChIKeyUUQLCEOJDKKVIG-UHFFFAOYSA-N
XLogP0.63
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropyrrol-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone?
The IUPAC name of 1-(3-fluoropyrrol-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone (CID 141108474) is 1-(3-fluoropyrrol-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(3-fluoropyrrol-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone?
The canonical SMILES for 1-(3-fluoropyrrol-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone is CC(C)(CO)NCC(=O)n1ccc(F)c1.
What is the InChIKey of 1-(3-fluoropyrrol-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone?
The InChIKey is UUQLCEOJDKKVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2/c1-10(2,7-14)12-5-9(15)13-4-3-8(11)6-13/h3-4,6,12,14H,5,7H2,1-2H3.
What are the key properties of 1-(3-fluoropyrrol-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone?
1-(3-fluoropyrrol-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone has a molecular weight of 214.24 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropyrrol-1-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]ethanone is sourced from PubChem (CID 141108474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).