[2,5-bis(ethenyl)thiophen-3-yl] N-tert-butylcarbamate

C13H17NO2S — CID 175218715

IUPAC[2,5-bis(ethenyl)thiophen-3-yl] N-tert-butylcarbamate
SMILESC=Cc1cc(OC(=O)NC(C)(C)C)c(C=C)s1
InChIInChI=1S/C13H17NO2S/c1-6-9-8-10(11(7-2)17-9)16-12(15)14-13(3,4)5/h6-8H,1-2H2,3-5H3,(H,14,15)
InChIKeyCEZMUCTYSAKNHU-UHFFFAOYSA-N
MW251.35 g/mol
LogP3.92
Rot. Bonds3

About [2,5-bis(ethenyl)thiophen-3-yl] N-tert-butylcarbamate

[2,5-bis(ethenyl)thiophen-3-yl] N-tert-butylcarbamate (PubChem CID 175218715) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is [2,5-bis(ethenyl)thiophen-3-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[2,5-bis(ethenyl)thiophen-3-yl] N-tert-butylcarbamate
PubChem CID175218715
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name[2,5-bis(ethenyl)thiophen-3-yl] N-tert-butylcarbamate
SMILESC=Cc1cc(OC(=O)NC(C)(C)C)c(C=C)s1
InChIInChI=1S/C13H17NO2S/c1-6-9-8-10(11(7-2)17-9)16-12(15)14-13(3,4)5/h6-8H,1-2H2,3-5H3,(H,14,15)
InChIKeyCEZMUCTYSAKNHU-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,5-bis(ethenyl)thiophen-3-yl] N-tert-butylcarbamate?
The IUPAC name of [2,5-bis(ethenyl)thiophen-3-yl] N-tert-butylcarbamate (CID 175218715) is [2,5-bis(ethenyl)thiophen-3-yl] N-tert-butylcarbamate.
What is the SMILES notation for [2,5-bis(ethenyl)thiophen-3-yl] N-tert-butylcarbamate?
The canonical SMILES for [2,5-bis(ethenyl)thiophen-3-yl] N-tert-butylcarbamate is C=Cc1cc(OC(=O)NC(C)(C)C)c(C=C)s1.
What is the InChIKey of [2,5-bis(ethenyl)thiophen-3-yl] N-tert-butylcarbamate?
The InChIKey is CEZMUCTYSAKNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-6-9-8-10(11(7-2)17-9)16-12(15)14-13(3,4)5/h6-8H,1-2H2,3-5H3,(H,14,15).
What are the key properties of [2,5-bis(ethenyl)thiophen-3-yl] N-tert-butylcarbamate?
[2,5-bis(ethenyl)thiophen-3-yl] N-tert-butylcarbamate has a molecular weight of 251.35 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-bis(ethenyl)thiophen-3-yl] N-tert-butylcarbamate is sourced from PubChem (CID 175218715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).