1-ethylpyrrole;methanesulfonic acid

C7H13NO3S — CID 175583443

IUPAC1-ethylpyrrole;methanesulfonic acid
SMILESCCn1cccc1.CS(=O)(=O)O
InChIInChI=1S/C6H9N.CH4O3S/c1-2-7-5-3-4-6-7;1-5(2,3)4/h3-6H,2H2,1H3;1H3,(H,2,3,4)
InChIKeyKBLBYMDXJNTURT-UHFFFAOYSA-N
MW191.25 g/mol
LogP1.01
Rot. Bonds1

About 1-ethylpyrrole;methanesulfonic acid

1-ethylpyrrole;methanesulfonic acid (PubChem CID 175583443) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is 1-ethylpyrrole;methanesulfonic acid.

Molecular Properties

Compound Name1-ethylpyrrole;methanesulfonic acid
PubChem CID175583443
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name1-ethylpyrrole;methanesulfonic acid
SMILESCCn1cccc1.CS(=O)(=O)O
InChIInChI=1S/C6H9N.CH4O3S/c1-2-7-5-3-4-6-7;1-5(2,3)4/h3-6H,2H2,1H3;1H3,(H,2,3,4)
InChIKeyKBLBYMDXJNTURT-UHFFFAOYSA-N
XLogP1.01
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 1-ethylpyrrole;methanesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrrole;methanesulfonic acid?
The IUPAC name of 1-ethylpyrrole;methanesulfonic acid (CID 175583443) is 1-ethylpyrrole;methanesulfonic acid.
What is the SMILES notation for 1-ethylpyrrole;methanesulfonic acid?
The canonical SMILES for 1-ethylpyrrole;methanesulfonic acid is CCn1cccc1.CS(=O)(=O)O.
What is the InChIKey of 1-ethylpyrrole;methanesulfonic acid?
The InChIKey is KBLBYMDXJNTURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.CH4O3S/c1-2-7-5-3-4-6-7;1-5(2,3)4/h3-6H,2H2,1H3;1H3,(H,2,3,4).
What are the key properties of 1-ethylpyrrole;methanesulfonic acid?
1-ethylpyrrole;methanesulfonic acid has a molecular weight of 191.25 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrrole;methanesulfonic acid is sourced from PubChem (CID 175583443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).