potassium 4,5-diphenyl-3,4-dihydro-2H-pyrrol-3-olate

C16H14KNO — CID 134967606

IUPACpotassium 4,5-diphenyl-3,4-dihydro-2H-pyrrol-3-olate
SMILES[K+].[O-]C1CN=C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C16H14NO.K/c18-14-11-17-16(13-9-5-2-6-10-13)15(14)12-7-3-1-4-8-12;/h1-10,14-15H,11H2;/q-1;+1
InChIKeyOORWNYHVPSKSKL-UHFFFAOYSA-N
MW275.39 g/mol
LogP-0.99
Rot. Bonds2

About potassium 4,5-diphenyl-3,4-dihydro-2H-pyrrol-3-olate

potassium 4,5-diphenyl-3,4-dihydro-2H-pyrrol-3-olate (PubChem CID 134967606) has the molecular formula C16H14KNO and a molecular weight of 275.39 g/mol. Its IUPAC name is potassium 4,5-diphenyl-3,4-dihydro-2H-pyrrol-3-olate.

Molecular Properties

Compound Namepotassium 4,5-diphenyl-3,4-dihydro-2H-pyrrol-3-olate
PubChem CID134967606
Molecular FormulaC16H14KNO
Molecular Weight275.39 g/mol
Exact Mass275.07
IUPAC Namepotassium 4,5-diphenyl-3,4-dihydro-2H-pyrrol-3-olate
SMILES[K+].[O-]C1CN=C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C16H14NO.K/c18-14-11-17-16(13-9-5-2-6-10-13)15(14)12-7-3-1-4-8-12;/h1-10,14-15H,11H2;/q-1;+1
InChIKeyOORWNYHVPSKSKL-UHFFFAOYSA-N
XLogP-0.99
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 5-0.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of potassium 4,5-diphenyl-3,4-dihydro-2H-pyrrol-3-olate?
The IUPAC name of potassium 4,5-diphenyl-3,4-dihydro-2H-pyrrol-3-olate (CID 134967606) is potassium 4,5-diphenyl-3,4-dihydro-2H-pyrrol-3-olate.
What is the SMILES notation for potassium 4,5-diphenyl-3,4-dihydro-2H-pyrrol-3-olate?
The canonical SMILES for potassium 4,5-diphenyl-3,4-dihydro-2H-pyrrol-3-olate is [K+].[O-]C1CN=C(c2ccccc2)C1c1ccccc1.
What is the InChIKey of potassium 4,5-diphenyl-3,4-dihydro-2H-pyrrol-3-olate?
The InChIKey is OORWNYHVPSKSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14NO.K/c18-14-11-17-16(13-9-5-2-6-10-13)15(14)12-7-3-1-4-8-12;/h1-10,14-15H,11H2;/q-1;+1.
What are the key properties of potassium 4,5-diphenyl-3,4-dihydro-2H-pyrrol-3-olate?
potassium 4,5-diphenyl-3,4-dihydro-2H-pyrrol-3-olate has a molecular weight of 275.39 g/mol, XLogP of -0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4,5-diphenyl-3,4-dihydro-2H-pyrrol-3-olate is sourced from PubChem (CID 134967606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).