[(3-fluoro-1-methylpyrrolidin-3-yl)methylamino]methanone;yttrium

C7H12FN2OY- — CID 171561088

IUPAC[(3-fluoro-1-methylpyrrolidin-3-yl)methylamino]methanone;yttrium
SMILESCN1CCC(F)(CN[C-]=O)C1.[Y]
InChIInChI=1S/C7H12FN2O.Y/c1-10-3-2-7(8,5-10)4-9-6-11;/h2-5H2,1H3,(H,9,11);/q-1;
InChIKeyKYOZDKOKVHLJJN-UHFFFAOYSA-N
MW248.09 g/mol
LogP-0.32
Rot. Bonds3

About [(3-fluoro-1-methylpyrrolidin-3-yl)methylamino]methanone;yttrium

[(3-fluoro-1-methylpyrrolidin-3-yl)methylamino]methanone;yttrium (PubChem CID 171561088) has the molecular formula C7H12FN2OY- and a molecular weight of 248.09 g/mol. Its IUPAC name is [(3-fluoro-1-methylpyrrolidin-3-yl)methylamino]methanone;yttrium.

Molecular Properties

Compound Name[(3-fluoro-1-methylpyrrolidin-3-yl)methylamino]methanone;yttrium
PubChem CID171561088
Molecular FormulaC7H12FN2OY-
Molecular Weight248.09 g/mol
Exact Mass248.00
IUPAC Name[(3-fluoro-1-methylpyrrolidin-3-yl)methylamino]methanone;yttrium
SMILESCN1CCC(F)(CN[C-]=O)C1.[Y]
InChIInChI=1S/C7H12FN2O.Y/c1-10-3-2-7(8,5-10)4-9-6-11;/h2-5H2,1H3,(H,9,11);/q-1;
InChIKeyKYOZDKOKVHLJJN-UHFFFAOYSA-N
XLogP-0.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.09
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3-fluoro-1-methylpyrrolidin-3-yl)methylamino]methanone;yttrium?
The IUPAC name of [(3-fluoro-1-methylpyrrolidin-3-yl)methylamino]methanone;yttrium (CID 171561088) is [(3-fluoro-1-methylpyrrolidin-3-yl)methylamino]methanone;yttrium.
What is the SMILES notation for [(3-fluoro-1-methylpyrrolidin-3-yl)methylamino]methanone;yttrium?
The canonical SMILES for [(3-fluoro-1-methylpyrrolidin-3-yl)methylamino]methanone;yttrium is CN1CCC(F)(CN[C-]=O)C1.[Y].
What is the InChIKey of [(3-fluoro-1-methylpyrrolidin-3-yl)methylamino]methanone;yttrium?
The InChIKey is KYOZDKOKVHLJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN2O.Y/c1-10-3-2-7(8,5-10)4-9-6-11;/h2-5H2,1H3,(H,9,11);/q-1;.
What are the key properties of [(3-fluoro-1-methylpyrrolidin-3-yl)methylamino]methanone;yttrium?
[(3-fluoro-1-methylpyrrolidin-3-yl)methylamino]methanone;yttrium has a molecular weight of 248.09 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-fluoro-1-methylpyrrolidin-3-yl)methylamino]methanone;yttrium is sourced from PubChem (CID 171561088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).