3-ethyl-3-methyl-5-thiophen-2-yl-2,4-dihydro-1H-pyridine-2-carbaldehyde

C13H17NOS — CID 174866208

IUPAC3-ethyl-3-methyl-5-thiophen-2-yl-2,4-dihydro-1H-pyridine-2-carbaldehyde
SMILESCCC1(C)CC(c2cccs2)=CNC1C=O
InChIInChI=1S/C13H17NOS/c1-3-13(2)7-10(8-14-12(13)9-15)11-5-4-6-16-11/h4-6,8-9,12,14H,3,7H2,1-2H3
InChIKeySGBJDYCRKWVMMI-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.07
Rot. Bonds3

About 3-ethyl-3-methyl-5-thiophen-2-yl-2,4-dihydro-1H-pyridine-2-carbaldehyde

3-ethyl-3-methyl-5-thiophen-2-yl-2,4-dihydro-1H-pyridine-2-carbaldehyde (PubChem CID 174866208) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-ethyl-3-methyl-5-thiophen-2-yl-2,4-dihydro-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-ethyl-3-methyl-5-thiophen-2-yl-2,4-dihydro-1H-pyridine-2-carbaldehyde
PubChem CID174866208
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name3-ethyl-3-methyl-5-thiophen-2-yl-2,4-dihydro-1H-pyridine-2-carbaldehyde
SMILESCCC1(C)CC(c2cccs2)=CNC1C=O
InChIInChI=1S/C13H17NOS/c1-3-13(2)7-10(8-14-12(13)9-15)11-5-4-6-16-11/h4-6,8-9,12,14H,3,7H2,1-2H3
InChIKeySGBJDYCRKWVMMI-UHFFFAOYSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde
CID 24859406
2-methyl-4-thiophen-2-yl-1,2,3,6-tetrahydropyridine
CID 69191672
3-propyl-2-thiophen-2-ylthiophene
CID 69104145
but-1-yne;2-thiophen-2-ylthiophene
CID 174755152
5,6,6-trimethyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde
CID 24859966
5-ethyl-5-methyl-4-oxo-2-thiophen-2-ylfuran-3-carbonitrile
CID 102363861
2-ethyl-2-methyl-3-thiophen-2-ylcyclobutan-1-one
CID 81414978
(5R)-8-(2-aminophenyl)-3-thiophen-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one
CID 135881863
4,4-dimethyl-2-thiophen-2-yl-1H-imidazol-5-one
CID 106953389
ethyl 6-(4-fluorophenyl)-2-oxo-4-thiophen-2-ylcyclohex-3-ene-1-carboxylate
CID 3153501
2-(4-thiophen-2-ylphenyl)acetaldehyde
CID 87498538
1-ethyl-3-thiophen-2-ylpyrrole-2-carbaldehyde
CID 125456045

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-5-thiophen-2-yl-2,4-dihydro-1H-pyridine-2-carbaldehyde?
The IUPAC name of 3-ethyl-3-methyl-5-thiophen-2-yl-2,4-dihydro-1H-pyridine-2-carbaldehyde (CID 174866208) is 3-ethyl-3-methyl-5-thiophen-2-yl-2,4-dihydro-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 3-ethyl-3-methyl-5-thiophen-2-yl-2,4-dihydro-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 3-ethyl-3-methyl-5-thiophen-2-yl-2,4-dihydro-1H-pyridine-2-carbaldehyde is CCC1(C)CC(c2cccs2)=CNC1C=O.
What is the InChIKey of 3-ethyl-3-methyl-5-thiophen-2-yl-2,4-dihydro-1H-pyridine-2-carbaldehyde?
The InChIKey is SGBJDYCRKWVMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-3-13(2)7-10(8-14-12(13)9-15)11-5-4-6-16-11/h4-6,8-9,12,14H,3,7H2,1-2H3.
What are the key properties of 3-ethyl-3-methyl-5-thiophen-2-yl-2,4-dihydro-1H-pyridine-2-carbaldehyde?
3-ethyl-3-methyl-5-thiophen-2-yl-2,4-dihydro-1H-pyridine-2-carbaldehyde has a molecular weight of 235.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-5-thiophen-2-yl-2,4-dihydro-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 174866208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).