thiophene-3-carbaldehyde;1-thiophen-3-yl-2,3-dihydropyridin-4-one

C14H13NO2S2 — CID 158077280

IUPACthiophene-3-carbaldehyde;1-thiophen-3-yl-2,3-dihydropyridin-4-one
SMILESO=C1C=CN(c2ccsc2)CC1.O=Cc1ccsc1
InChIInChI=1S/C9H9NOS.C5H4OS/c11-9-1-4-10(5-2-9)8-3-6-12-7-8;6-3-5-1-2-7-4-5/h1,3-4,6-7H,2,5H2;1-4H
InChIKeyFMNIBZHXSZPXSB-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.60
Rot. Bonds2

About thiophene-3-carbaldehyde;1-thiophen-3-yl-2,3-dihydropyridin-4-one

thiophene-3-carbaldehyde;1-thiophen-3-yl-2,3-dihydropyridin-4-one (PubChem CID 158077280) has the molecular formula C14H13NO2S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is thiophene-3-carbaldehyde;1-thiophen-3-yl-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Namethiophene-3-carbaldehyde;1-thiophen-3-yl-2,3-dihydropyridin-4-one
PubChem CID158077280
Molecular FormulaC14H13NO2S2
Molecular Weight291.40 g/mol
Exact Mass291.04
IUPAC Namethiophene-3-carbaldehyde;1-thiophen-3-yl-2,3-dihydropyridin-4-one
SMILESO=C1C=CN(c2ccsc2)CC1.O=Cc1ccsc1
InChIInChI=1S/C9H9NOS.C5H4OS/c11-9-1-4-10(5-2-9)8-3-6-12-7-8;6-3-5-1-2-7-4-5/h1,3-4,6-7H,2,5H2;1-4H
InChIKeyFMNIBZHXSZPXSB-UHFFFAOYSA-N
XLogP3.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of thiophene-3-carbaldehyde;1-thiophen-3-yl-2,3-dihydropyridin-4-one?
The IUPAC name of thiophene-3-carbaldehyde;1-thiophen-3-yl-2,3-dihydropyridin-4-one (CID 158077280) is thiophene-3-carbaldehyde;1-thiophen-3-yl-2,3-dihydropyridin-4-one.
What is the SMILES notation for thiophene-3-carbaldehyde;1-thiophen-3-yl-2,3-dihydropyridin-4-one?
The canonical SMILES for thiophene-3-carbaldehyde;1-thiophen-3-yl-2,3-dihydropyridin-4-one is O=C1C=CN(c2ccsc2)CC1.O=Cc1ccsc1.
What is the InChIKey of thiophene-3-carbaldehyde;1-thiophen-3-yl-2,3-dihydropyridin-4-one?
The InChIKey is FMNIBZHXSZPXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS.C5H4OS/c11-9-1-4-10(5-2-9)8-3-6-12-7-8;6-3-5-1-2-7-4-5/h1,3-4,6-7H,2,5H2;1-4H.
What are the key properties of thiophene-3-carbaldehyde;1-thiophen-3-yl-2,3-dihydropyridin-4-one?
thiophene-3-carbaldehyde;1-thiophen-3-yl-2,3-dihydropyridin-4-one has a molecular weight of 291.40 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene-3-carbaldehyde;1-thiophen-3-yl-2,3-dihydropyridin-4-one is sourced from PubChem (CID 158077280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).