potassium 1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylate

C8H7KN2O2 — CID 59648687

IUPACpotassium 1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylate
SMILESCn1ccc2[nH]c(C(=O)[O-])cc21.[K+]
InChIInChI=1S/C8H8N2O2.K/c1-10-3-2-5-7(10)4-6(9-5)8(11)12;/h2-4,9H,1H3,(H,11,12);/q;+1/p-1
InChIKeySFTRZXKYZFWBAW-UHFFFAOYSA-M
MW202.25 g/mol
LogP-3.13
Rot. Bonds1

About potassium 1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylate

potassium 1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylate (PubChem CID 59648687) has the molecular formula C8H7KN2O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is potassium 1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namepotassium 1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylate
PubChem CID59648687
Molecular FormulaC8H7KN2O2
Molecular Weight202.25 g/mol
Exact Mass202.01
IUPAC Namepotassium 1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylate
SMILESCn1ccc2[nH]c(C(=O)[O-])cc21.[K+]
InChIInChI=1S/C8H8N2O2.K/c1-10-3-2-5-7(10)4-6(9-5)8(11)12;/h2-4,9H,1H3,(H,11,12);/q;+1/p-1
InChIKeySFTRZXKYZFWBAW-UHFFFAOYSA-M
XLogP-3.13
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-3.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium 1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of potassium 1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylate (CID 59648687) is potassium 1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for potassium 1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for potassium 1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylate is Cn1ccc2[nH]c(C(=O)[O-])cc21.[K+].
What is the InChIKey of potassium 1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is SFTRZXKYZFWBAW-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8N2O2.K/c1-10-3-2-5-7(10)4-6(9-5)8(11)12;/h2-4,9H,1H3,(H,11,12);/q;+1/p-1.
What are the key properties of potassium 1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylate?
potassium 1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 202.25 g/mol, XLogP of -3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 59648687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).