(Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide

C10H10N2OS — CID 679438

IUPAC(Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide
SMILESCCc1ccc(/C=C(/C#N)C(N)=O)s1
InChIInChI=1S/C10H10N2OS/c1-2-8-3-4-9(14-8)5-7(6-11)10(12)13/h3-5H,2H2,1H3,(H2,12,13)/b7-5-
InChIKeyZFIVHFMVGUPGOQ-ALCCZGGFSA-N
MW206.27 g/mol
LogP1.70
Rot. Bonds3

About (Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide

(Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide (PubChem CID 679438) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is (Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide
PubChem CID679438
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name(Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide
SMILESCCc1ccc(/C=C(/C#N)C(N)=O)s1
InChIInChI=1S/C10H10N2OS/c1-2-8-3-4-9(14-8)5-7(6-11)10(12)13/h3-5H,2H2,1H3,(H2,12,13)/b7-5-
InChIKeyZFIVHFMVGUPGOQ-ALCCZGGFSA-N
XLogP1.70
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-Cyano-3-(thiophen-2-yl)prop-2-enamide
CID 2806450
3-(5-Chloro-2-thienyl)-2-cyanoacrylamide
CID 1225213
(2E)-2-cyano-3-(thiophen-2-yl)prop-2-enamide
CID 730848
2-Cyano-3-(5-ethyl-2-thienyl)-2-propenethioamide
CID 679436
(2E)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enamide
CID 772375
(E)-3-(3-bromothiophen-2-yl)-2-cyanoprop-2-enamide
CID 57395932
(2Z)-2-cyano-3-(5-methyl(2-thienyl))prop-2-enamide
CID 679432
2-cyano-N-cyclopropyl-3-(5-ethyl-2-thienyl)acrylamide
CID 840916
(E)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 43236647
(2z,4e)-2-Cyano-3,5-bis(methylsulfanyl)-5-(2-thienyl)-penta-2,4-dienoic acid amide
CID 156025361
(E)-2-cyano-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide
CID 24604423
(E)-2-cyano-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide
CID 34349478

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide (CID 679438) is (Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide is CCc1ccc(/C=C(/C#N)C(N)=O)s1.
What is the InChIKey of (Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide?
The InChIKey is ZFIVHFMVGUPGOQ-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-2-8-3-4-9(14-8)5-7(6-11)10(12)13/h3-5H,2H2,1H3,(H2,12,13)/b7-5-.
What are the key properties of (Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide?
(Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide has a molecular weight of 206.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 679438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).