ethyl N-[(E)-2-thiophen-3-ylethenyl]carbamate

C9H11NO2S — CID 11849673

IUPACethyl N-[(E)-2-thiophen-3-ylethenyl]carbamate
SMILESCCOC(=O)N/C=C/c1ccsc1
InChIInChI=1S/C9H11NO2S/c1-2-12-9(11)10-5-3-8-4-6-13-7-8/h3-7H,2H2,1H3,(H,10,11)/b5-3+
InChIKeyZVECWZHSVMNSSC-HWKANZROSA-N
MW197.26 g/mol
LogP2.46
Rot. Bonds3

About ethyl N-[(E)-2-thiophen-3-ylethenyl]carbamate

ethyl N-[(E)-2-thiophen-3-ylethenyl]carbamate (PubChem CID 11849673) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is ethyl N-[(E)-2-thiophen-3-ylethenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(E)-2-thiophen-3-ylethenyl]carbamate
PubChem CID11849673
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Nameethyl N-[(E)-2-thiophen-3-ylethenyl]carbamate
SMILESCCOC(=O)N/C=C/c1ccsc1
InChIInChI=1S/C9H11NO2S/c1-2-12-9(11)10-5-3-8-4-6-13-7-8/h3-7H,2H2,1H3,(H,10,11)/b5-3+
InChIKeyZVECWZHSVMNSSC-HWKANZROSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-oxo-4-thiophen-3-ylbut-3-enoate
CID 53411531
methyl (Z)-3-thiophen-3-ylprop-2-enoate
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ethyl N-(2-hydroxyethenyl)carbamate
CID 173181517
(dimethylamino)methyl (Z)-3-thiophen-3-ylprop-2-enoate
CID 122223999
3-[(E)-but-1-enyl]thiophene
CID 15047169
methyl (3E,5E,7E,9E,11E)-12-thiophen-3-yldodeca-3,5,7,9,11-pentaenoate
CID 19020191
ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate
CID 71804729
methyl N-[(E)-2-(4-hydroxyphenyl)ethenyl]carbamate
CID 21422485
(E)-4-thiophen-3-ylbut-3-enoic acid
CID 23369401
methyl (2R)-4-methyl-2-(3-thiophen-3-ylprop-2-enoylamino)pentanoate
CID 66772462
methyl 4-[[(E)-3-thiophen-3-ylprop-2-enoyl]oxymethyl]benzoate
CID 7549752
(E,2R)-2-amino-4-ethoxycarbonyl-5-thiophen-3-ylpent-4-enoic acid
CID 102508859

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(E)-2-thiophen-3-ylethenyl]carbamate?
The IUPAC name of ethyl N-[(E)-2-thiophen-3-ylethenyl]carbamate (CID 11849673) is ethyl N-[(E)-2-thiophen-3-ylethenyl]carbamate.
What is the SMILES notation for ethyl N-[(E)-2-thiophen-3-ylethenyl]carbamate?
The canonical SMILES for ethyl N-[(E)-2-thiophen-3-ylethenyl]carbamate is CCOC(=O)N/C=C/c1ccsc1.
What is the InChIKey of ethyl N-[(E)-2-thiophen-3-ylethenyl]carbamate?
The InChIKey is ZVECWZHSVMNSSC-HWKANZROSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-2-12-9(11)10-5-3-8-4-6-13-7-8/h3-7H,2H2,1H3,(H,10,11)/b5-3+.
What are the key properties of ethyl N-[(E)-2-thiophen-3-ylethenyl]carbamate?
ethyl N-[(E)-2-thiophen-3-ylethenyl]carbamate has a molecular weight of 197.26 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(E)-2-thiophen-3-ylethenyl]carbamate is sourced from PubChem (CID 11849673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).