2-[(Z)-2-methylsulfonylethenyl]-1H-pyrrole

C7H9NO2S — CID 92857176

IUPAC2-[(Z)-2-methylsulfonylethenyl]-1H-pyrrole
SMILESCS(=O)(=O)/C=C\c1ccc[nH]1
InChIInChI=1S/C7H9NO2S/c1-11(9,10)6-4-7-3-2-5-8-7/h2-6,8H,1H3/b6-4-
InChIKeyFDNZAXFVRRURRC-XQRVVYSFSA-N
MW171.22 g/mol
LogP1.03
Rot. Bonds2

About 2-[(Z)-2-methylsulfonylethenyl]-1H-pyrrole

2-[(Z)-2-methylsulfonylethenyl]-1H-pyrrole (PubChem CID 92857176) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 2-[(Z)-2-methylsulfonylethenyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[(Z)-2-methylsulfonylethenyl]-1H-pyrrole
PubChem CID92857176
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name2-[(Z)-2-methylsulfonylethenyl]-1H-pyrrole
SMILESCS(=O)(=O)/C=C\c1ccc[nH]1
InChIInChI=1S/C7H9NO2S/c1-11(9,10)6-4-7-3-2-5-8-7/h2-6,8H,1H3/b6-4-
InChIKeyFDNZAXFVRRURRC-XQRVVYSFSA-N
XLogP1.03
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(Z)-2-methylsulfonylethenyl]-1H-pyrrole with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrrole
CID 67418156
(E)-2-oxo-4-(1H-pyrrol-2-yl)but-3-enoic acid
CID 103689342
methanamine;1H-pyrrole-2-carbaldehyde
CID 172737516
(E)-3-(1H-pyrrol-2-yl)prop-2-enoic acid
CID 10154086
(E)-N-hydroxy-3-(1H-pyrrol-2-yl)prop-2-enamide
CID 87266341
molecular hydrogen;1H-pyrrole-2-carbaldehyde
CID 142199801
(Z)-3-(1H-pyrrol-2-yl)prop-2-en-1-ol
CID 55287867
dimethyl(1H-pyrrol-2-ylmethylidene)azanium
CID 12676266
(E)-4-(1H-pyrrol-2-yl)but-3-en-1-amine
CID 83694258
2-[(E)-octacos-1-enyl]-1H-pyrrole
CID 173176547
2-[(E)-hexacos-1-enyl]-1H-pyrrole
CID 173177344
methyl 4-[2-(1H-pyrrol-2-yl)ethenyl]benzoate
CID 54117004

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-methylsulfonylethenyl]-1H-pyrrole?
The IUPAC name of 2-[(Z)-2-methylsulfonylethenyl]-1H-pyrrole (CID 92857176) is 2-[(Z)-2-methylsulfonylethenyl]-1H-pyrrole.
What is the SMILES notation for 2-[(Z)-2-methylsulfonylethenyl]-1H-pyrrole?
The canonical SMILES for 2-[(Z)-2-methylsulfonylethenyl]-1H-pyrrole is CS(=O)(=O)/C=C\c1ccc[nH]1.
What is the InChIKey of 2-[(Z)-2-methylsulfonylethenyl]-1H-pyrrole?
The InChIKey is FDNZAXFVRRURRC-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-11(9,10)6-4-7-3-2-5-8-7/h2-6,8H,1H3/b6-4-.
What are the key properties of 2-[(Z)-2-methylsulfonylethenyl]-1H-pyrrole?
2-[(Z)-2-methylsulfonylethenyl]-1H-pyrrole has a molecular weight of 171.22 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-methylsulfonylethenyl]-1H-pyrrole is sourced from PubChem (CID 92857176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).