ethyl (Z)-2-cyano-3-thiophen-2-ylprop-2-enoate

C10H9NO2S — CID 5356198

IUPACethyl (Z)-2-cyano-3-thiophen-2-ylprop-2-enoate
SMILESCCOC(=O)/C(C#N)=C\c1cccs1
InChIInChI=1S/C10H9NO2S/c1-2-13-10(12)8(7-11)6-9-4-3-5-14-9/h3-6H,2H2,1H3/b8-6-
InChIKeyRULXBTAXOUSEDI-VURMDHGXSA-N
MW207.25 g/mol
LogP2.22
Rot. Bonds3

About ethyl (Z)-2-cyano-3-thiophen-2-ylprop-2-enoate

ethyl (Z)-2-cyano-3-thiophen-2-ylprop-2-enoate (PubChem CID 5356198) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is ethyl (Z)-2-cyano-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-cyano-3-thiophen-2-ylprop-2-enoate
PubChem CID5356198
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Nameethyl (Z)-2-cyano-3-thiophen-2-ylprop-2-enoate
SMILESCCOC(=O)/C(C#N)=C\c1cccs1
InChIInChI=1S/C10H9NO2S/c1-2-13-10(12)8(7-11)6-9-4-3-5-14-9/h3-6H,2H2,1H3/b8-6-
InChIKeyRULXBTAXOUSEDI-VURMDHGXSA-N
XLogP2.22
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 34880
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Methyl 3-(2-thienyl)acrylate
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dimethyl 2-((2E)-2-methyl-3-(2-thienyl)prop-2-enylidene)propane-1,3-dioate
CID 5403792
2-Propenoic acid, 2-cyano-3-(3-thienyl)-, ethyl ester, (2E)-
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CID 714589
Ethyl 2-cyano-3-(5-ethyl-2-thienyl)acrylate
CID 678514
ethyl (E)-2-cyano-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enoate
CID 5703201
ethyl (Z)-4,4,4-trifluoro-3-thiophen-2-ylbut-2-enoate
CID 10083437
methylethyl (2Z)-2-cyano-3-(2-thienyl)prop-2-enoate
CID 1722669
methyl (E)-2-cyano-3-(5-methylsulfanylthiophen-2-yl)prop-2-enoate
CID 5703352
Dimethyl [3-(2-thienyl)-2-propen-1-ylidene]malonate
CID 781578

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-cyano-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of ethyl (Z)-2-cyano-3-thiophen-2-ylprop-2-enoate (CID 5356198) is ethyl (Z)-2-cyano-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-cyano-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for ethyl (Z)-2-cyano-3-thiophen-2-ylprop-2-enoate is CCOC(=O)/C(C#N)=C\c1cccs1.
What is the InChIKey of ethyl (Z)-2-cyano-3-thiophen-2-ylprop-2-enoate?
The InChIKey is RULXBTAXOUSEDI-VURMDHGXSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-2-13-10(12)8(7-11)6-9-4-3-5-14-9/h3-6H,2H2,1H3/b8-6-.
What are the key properties of ethyl (Z)-2-cyano-3-thiophen-2-ylprop-2-enoate?
ethyl (Z)-2-cyano-3-thiophen-2-ylprop-2-enoate has a molecular weight of 207.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-cyano-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 5356198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).