(2E)-2-(2,3-dihydrothiochromen-4-ylidene)acetamide

C11H11NOS — CID 67689586

IUPAC(2E)-2-(2,3-dihydrothiochromen-4-ylidene)acetamide
SMILESNC(=O)/C=C1\CCSc2ccccc21
InChIInChI=1S/C11H11NOS/c12-11(13)7-8-5-6-14-10-4-2-1-3-9(8)10/h1-4,7H,5-6H2,(H2,12,13)/b8-7+
InChIKeyNZFHUZXLPXSOKL-BQYQJAHWSA-N
MW205.28 g/mol
LogP2.05
Rot. Bonds1

About (2E)-2-(2,3-dihydrothiochromen-4-ylidene)acetamide

(2E)-2-(2,3-dihydrothiochromen-4-ylidene)acetamide (PubChem CID 67689586) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is (2E)-2-(2,3-dihydrothiochromen-4-ylidene)acetamide.

Molecular Properties

Compound Name(2E)-2-(2,3-dihydrothiochromen-4-ylidene)acetamide
PubChem CID67689586
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name(2E)-2-(2,3-dihydrothiochromen-4-ylidene)acetamide
SMILESNC(=O)/C=C1\CCSc2ccccc21
InChIInChI=1S/C11H11NOS/c12-11(13)7-8-5-6-14-10-4-2-1-3-9(8)10/h1-4,7H,5-6H2,(H2,12,13)/b8-7+
InChIKeyNZFHUZXLPXSOKL-BQYQJAHWSA-N
XLogP2.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2,3-dihydrothiochromen-4-ylidene)acetamide?
The IUPAC name of (2E)-2-(2,3-dihydrothiochromen-4-ylidene)acetamide (CID 67689586) is (2E)-2-(2,3-dihydrothiochromen-4-ylidene)acetamide.
What is the SMILES notation for (2E)-2-(2,3-dihydrothiochromen-4-ylidene)acetamide?
The canonical SMILES for (2E)-2-(2,3-dihydrothiochromen-4-ylidene)acetamide is NC(=O)/C=C1\CCSc2ccccc21.
What is the InChIKey of (2E)-2-(2,3-dihydrothiochromen-4-ylidene)acetamide?
The InChIKey is NZFHUZXLPXSOKL-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H11NOS/c12-11(13)7-8-5-6-14-10-4-2-1-3-9(8)10/h1-4,7H,5-6H2,(H2,12,13)/b8-7+.
What are the key properties of (2E)-2-(2,3-dihydrothiochromen-4-ylidene)acetamide?
(2E)-2-(2,3-dihydrothiochromen-4-ylidene)acetamide has a molecular weight of 205.28 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2,3-dihydrothiochromen-4-ylidene)acetamide is sourced from PubChem (CID 67689586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).