potassium pyrrolidin-1-id-2-one

C4H6KNO — CID 13284943

IUPACpotassium pyrrolidin-1-id-2-one
SMILESO=C1CCC[N-]1.[K+]
InChIInChI=1S/C4H7NO.K/c6-4-2-1-3-5-4;/h1-3H2,(H,5,6);/q;+1/p-1
InChIKeyYFNLELWRDJJJDM-UHFFFAOYSA-M
MW123.20 g/mol
LogP-2.32
Rot. Bonds

About potassium pyrrolidin-1-id-2-one

potassium pyrrolidin-1-id-2-one (PubChem CID 13284943) has the molecular formula C4H6KNO and a molecular weight of 123.20 g/mol. Its IUPAC name is potassium pyrrolidin-1-id-2-one.

Molecular Properties

Compound Namepotassium pyrrolidin-1-id-2-one
PubChem CID13284943
Molecular FormulaC4H6KNO
Molecular Weight123.20 g/mol
Exact Mass123.01
IUPAC Namepotassium pyrrolidin-1-id-2-one
SMILESO=C1CCC[N-]1.[K+]
InChIInChI=1S/C4H7NO.K/c6-4-2-1-3-5-4;/h1-3H2,(H,5,6);/q;+1/p-1
InChIKeyYFNLELWRDJJJDM-UHFFFAOYSA-M
XLogP-2.32
TPSA31.17 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 5-2.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of potassium pyrrolidin-1-id-2-one?
The IUPAC name of potassium pyrrolidin-1-id-2-one (CID 13284943) is potassium pyrrolidin-1-id-2-one.
What is the SMILES notation for potassium pyrrolidin-1-id-2-one?
The canonical SMILES for potassium pyrrolidin-1-id-2-one is O=C1CCC[N-]1.[K+].
What is the InChIKey of potassium pyrrolidin-1-id-2-one?
The InChIKey is YFNLELWRDJJJDM-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H7NO.K/c6-4-2-1-3-5-4;/h1-3H2,(H,5,6);/q;+1/p-1.
What are the key properties of potassium pyrrolidin-1-id-2-one?
potassium pyrrolidin-1-id-2-one has a molecular weight of 123.20 g/mol, XLogP of -2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium pyrrolidin-1-id-2-one is sourced from PubChem (CID 13284943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).