potassium (3-cyano-1-methylpyrrolidin-3-yl)methanolate

C7H11KN2O — CID 167468492

IUPACpotassium (3-cyano-1-methylpyrrolidin-3-yl)methanolate
SMILESCN1CCC(C#N)(C[O-])C1.[K+]
InChIInChI=1S/C7H11N2O.K/c1-9-3-2-7(4-8,5-9)6-10;/h2-3,5-6H2,1H3;/q-1;+1
InChIKeySYSBPGUMOMGOJH-UHFFFAOYSA-N
MW178.28 g/mol
LogP-3.80
Rot. Bonds1

About potassium (3-cyano-1-methylpyrrolidin-3-yl)methanolate

potassium (3-cyano-1-methylpyrrolidin-3-yl)methanolate (PubChem CID 167468492) has the molecular formula C7H11KN2O and a molecular weight of 178.28 g/mol. Its IUPAC name is potassium (3-cyano-1-methylpyrrolidin-3-yl)methanolate.

Molecular Properties

Compound Namepotassium (3-cyano-1-methylpyrrolidin-3-yl)methanolate
PubChem CID167468492
Molecular FormulaC7H11KN2O
Molecular Weight178.28 g/mol
Exact Mass178.05
IUPAC Namepotassium (3-cyano-1-methylpyrrolidin-3-yl)methanolate
SMILESCN1CCC(C#N)(C[O-])C1.[K+]
InChIInChI=1S/C7H11N2O.K/c1-9-3-2-7(4-8,5-9)6-10;/h2-3,5-6H2,1H3;/q-1;+1
InChIKeySYSBPGUMOMGOJH-UHFFFAOYSA-N
XLogP-3.80
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 5-3.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Hydroxymethyl)-1-methylpyrrolidine-3-carbonitrile
CID 167468472
(3R)-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine-3-carbonitrile
CID 167468637
(3R)-3-(hydroxymethyl)-1-methylpyrrolidine-3-carbonitrile
CID 167468907
3-(Methoxymethyl)-1-methylpyrrolidine-3-carbonitrile
CID 176675075
3-(Aminooxymethyl)-1-methylpyrrolidine-3-carbonitrile
CID 176675140
(3S)-3-(methoxymethyl)-1-methylpyrrolidine-3-carbonitrile
CID 176690442
(3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-3-carbonitrile
CID 176721097
4-[3-(Methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251615
2-[3-(Methoxymethyl)-3-methylpyrrolidin-1-yl]acetonitrile
CID 130964830

Frequently Asked Questions

What is the IUPAC name of potassium (3-cyano-1-methylpyrrolidin-3-yl)methanolate?
The IUPAC name of potassium (3-cyano-1-methylpyrrolidin-3-yl)methanolate (CID 167468492) is potassium (3-cyano-1-methylpyrrolidin-3-yl)methanolate.
What is the SMILES notation for potassium (3-cyano-1-methylpyrrolidin-3-yl)methanolate?
The canonical SMILES for potassium (3-cyano-1-methylpyrrolidin-3-yl)methanolate is CN1CCC(C#N)(C[O-])C1.[K+].
What is the InChIKey of potassium (3-cyano-1-methylpyrrolidin-3-yl)methanolate?
The InChIKey is SYSBPGUMOMGOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2O.K/c1-9-3-2-7(4-8,5-9)6-10;/h2-3,5-6H2,1H3;/q-1;+1.
What are the key properties of potassium (3-cyano-1-methylpyrrolidin-3-yl)methanolate?
potassium (3-cyano-1-methylpyrrolidin-3-yl)methanolate has a molecular weight of 178.28 g/mol, XLogP of -3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (3-cyano-1-methylpyrrolidin-3-yl)methanolate is sourced from PubChem (CID 167468492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).