ethane;3-[(Z)-1-ethylsulfanylprop-1-enyl]-2H-pyrrole

C11H19NS — CID 143157915

IUPACethane;3-[(Z)-1-ethylsulfanylprop-1-enyl]-2H-pyrrole
SMILESC/C=C(\SCC)C1=CC=NC1.CC
InChIInChI=1S/C9H13NS.C2H6/c1-3-9(11-4-2)8-5-6-10-7-8;1-2/h3,5-6H,4,7H2,1-2H3;1-2H3/b9-3-;
InChIKeyAWBKIUQZCVNEJF-WPUSIDMCSA-N
MW197.35 g/mol
LogP3.68
Rot. Bonds3

About ethane;3-[(Z)-1-ethylsulfanylprop-1-enyl]-2H-pyrrole

ethane;3-[(Z)-1-ethylsulfanylprop-1-enyl]-2H-pyrrole (PubChem CID 143157915) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is ethane;3-[(Z)-1-ethylsulfanylprop-1-enyl]-2H-pyrrole.

Molecular Properties

Compound Nameethane;3-[(Z)-1-ethylsulfanylprop-1-enyl]-2H-pyrrole
PubChem CID143157915
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Nameethane;3-[(Z)-1-ethylsulfanylprop-1-enyl]-2H-pyrrole
SMILESC/C=C(\SCC)C1=CC=NC1.CC
InChIInChI=1S/C9H13NS.C2H6/c1-3-9(11-4-2)8-5-6-10-7-8;1-2/h3,5-6H,4,7H2,1-2H3;1-2H3/b9-3-;
InChIKeyAWBKIUQZCVNEJF-WPUSIDMCSA-N
XLogP3.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[5-[ethyl(dimethyl)-lambda4-sulfanyl]hexa-2,5-dienyl]ethanimine
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2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine
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3,4-dihydro-2H-thieno[3,2-c]azepine
CID 137397439
(2Z)-N-methyl-2-(2-methylidenethiophen-3-ylidene)ethanimine
CID 139297349
ethane;3-[(Z)-1-ethenylsulfanylprop-1-enyl]-2H-pyrrole
CID 143157875
Ethane;7-methyl-1,3,4,7-tetrahydrothiopyrano[4,3-c]azepine
CID 143533132
(2Z,4E)-N,4-dimethyl-5-methylsulfanylpenta-2,4-dien-1-imine
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4-methyl-2-(6-methyl-2H-azepin-4-yl)-4,5-dihydro-1,3-thiazole
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Frequently Asked Questions

What is the IUPAC name of ethane;3-[(Z)-1-ethylsulfanylprop-1-enyl]-2H-pyrrole?
The IUPAC name of ethane;3-[(Z)-1-ethylsulfanylprop-1-enyl]-2H-pyrrole (CID 143157915) is ethane;3-[(Z)-1-ethylsulfanylprop-1-enyl]-2H-pyrrole.
What is the SMILES notation for ethane;3-[(Z)-1-ethylsulfanylprop-1-enyl]-2H-pyrrole?
The canonical SMILES for ethane;3-[(Z)-1-ethylsulfanylprop-1-enyl]-2H-pyrrole is C/C=C(\SCC)C1=CC=NC1.CC.
What is the InChIKey of ethane;3-[(Z)-1-ethylsulfanylprop-1-enyl]-2H-pyrrole?
The InChIKey is AWBKIUQZCVNEJF-WPUSIDMCSA-N. The full InChI is InChI=1S/C9H13NS.C2H6/c1-3-9(11-4-2)8-5-6-10-7-8;1-2/h3,5-6H,4,7H2,1-2H3;1-2H3/b9-3-;.
What are the key properties of ethane;3-[(Z)-1-ethylsulfanylprop-1-enyl]-2H-pyrrole?
ethane;3-[(Z)-1-ethylsulfanylprop-1-enyl]-2H-pyrrole has a molecular weight of 197.35 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(Z)-1-ethylsulfanylprop-1-enyl]-2H-pyrrole is sourced from PubChem (CID 143157915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).