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

C10H10N2OS — CID 679437

IUPAC(E)-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-FNORWQNLSA-N
MW206.27 g/mol
LogP1.70
Rot. Bonds3

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

(E)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide (PubChem CID 679437) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is (E)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide
PubChem CID679437
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name(E)-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-FNORWQNLSA-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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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide (CID 679437) is (E)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-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 (E)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide?
The InChIKey is ZFIVHFMVGUPGOQ-FNORWQNLSA-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 (E)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide?
(E)-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 (E)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 679437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).