potassium 1H-pyrrol-2-ylmethanolate

C5H6KNO — CID 140988269

IUPACpotassium 1H-pyrrol-2-ylmethanolate
SMILES[K+].[O-]Cc1ccc[nH]1
InChIInChI=1S/C5H6NO.K/c7-4-5-2-1-3-6-5;/h1-3,6H,4H2;/q-1;+1
InChIKeyXIVLOTHMVCOWTJ-UHFFFAOYSA-N
MW135.21 g/mol
LogP-3.12
Rot. Bonds1

About potassium 1H-pyrrol-2-ylmethanolate

potassium 1H-pyrrol-2-ylmethanolate (PubChem CID 140988269) has the molecular formula C5H6KNO and a molecular weight of 135.21 g/mol. Its IUPAC name is potassium 1H-pyrrol-2-ylmethanolate.

Molecular Properties

Compound Namepotassium 1H-pyrrol-2-ylmethanolate
PubChem CID140988269
Molecular FormulaC5H6KNO
Molecular Weight135.21 g/mol
Exact Mass135.01
IUPAC Namepotassium 1H-pyrrol-2-ylmethanolate
SMILES[K+].[O-]Cc1ccc[nH]1
InChIInChI=1S/C5H6NO.K/c7-4-5-2-1-3-6-5;/h1-3,6H,4H2;/q-1;+1
InChIKeyXIVLOTHMVCOWTJ-UHFFFAOYSA-N
XLogP-3.12
TPSA38.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 5-3.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-1H-pyrrole;hydrobromide
CID 174918112
methane;1H-pyrrol-2-ylmethanamine
CID 162272370
2-(1H-pyrrol-2-yl)ethylazanium
CID 51919094
2-prop-2-enyl-1H-pyrrole
CID 527534
2-prop-2-ynyl-1H-pyrrole
CID 12008703
1H-pyrrol-2-ylmethylhydrazine
CID 53275207
1-amino-3-(1H-pyrrol-2-yl)propan-2-ol
CID 116859152
N-methyl-2-(1H-pyrrol-2-yl)ethanimine
CID 118517392
molecular hydrogen;2-propyl-1H-pyrrole
CID 157161964
2-[(E)-but-2-enyl]-1H-pyrrole
CID 14086677
trimethyl(1H-pyrrol-2-ylmethyl)phosphanium iodide
CID 23031297
CID 161383417
CID 161383417

Frequently Asked Questions

What is the IUPAC name of potassium 1H-pyrrol-2-ylmethanolate?
The IUPAC name of potassium 1H-pyrrol-2-ylmethanolate (CID 140988269) is potassium 1H-pyrrol-2-ylmethanolate.
What is the SMILES notation for potassium 1H-pyrrol-2-ylmethanolate?
The canonical SMILES for potassium 1H-pyrrol-2-ylmethanolate is [K+].[O-]Cc1ccc[nH]1.
What is the InChIKey of potassium 1H-pyrrol-2-ylmethanolate?
The InChIKey is XIVLOTHMVCOWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6NO.K/c7-4-5-2-1-3-6-5;/h1-3,6H,4H2;/q-1;+1.
What are the key properties of potassium 1H-pyrrol-2-ylmethanolate?
potassium 1H-pyrrol-2-ylmethanolate has a molecular weight of 135.21 g/mol, XLogP of -3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1H-pyrrol-2-ylmethanolate is sourced from PubChem (CID 140988269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).