3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole

C9H11NS — CID 143157876

IUPAC3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole
SMILESC=CS/C(=C\C)C1=CC=NC1
InChIInChI=1S/C9H11NS/c1-3-9(11-4-2)8-5-6-10-7-8/h3-6H,2,7H2,1H3/b9-3-
InChIKeyWCAHNKYHMAXXRQ-OQFOIZHKSA-N
MW165.26 g/mol
LogP2.78
Rot. Bonds3

About 3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole

3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole (PubChem CID 143157876) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole.

Molecular Properties

Compound Name3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole
PubChem CID143157876
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole
SMILESC=CS/C(=C\C)C1=CC=NC1
InChIInChI=1S/C9H11NS/c1-3-9(11-4-2)8-5-6-10-7-8/h3-6H,2,7H2,1H3/b9-3-
InChIKeyWCAHNKYHMAXXRQ-OQFOIZHKSA-N
XLogP2.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole?
The IUPAC name of 3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole (CID 143157876) is 3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole.
What is the SMILES notation for 3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole?
The canonical SMILES for 3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole is C=CS/C(=C\C)C1=CC=NC1.
What is the InChIKey of 3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole?
The InChIKey is WCAHNKYHMAXXRQ-OQFOIZHKSA-N. The full InChI is InChI=1S/C9H11NS/c1-3-9(11-4-2)8-5-6-10-7-8/h3-6H,2,7H2,1H3/b9-3-.
What are the key properties of 3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole?
3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole has a molecular weight of 165.26 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole is sourced from PubChem (CID 143157876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).