2,4-dimethyl-5-(thiophene-2-carbonyl)-1H-pyrrole-3-carbaldehyde

C12H11NO2S — CID 82390025

IUPAC2,4-dimethyl-5-(thiophene-2-carbonyl)-1H-pyrrole-3-carbaldehyde
SMILESCc1[nH]c(C(=O)c2cccs2)c(C)c1C=O
InChIInChI=1S/C12H11NO2S/c1-7-9(6-14)8(2)13-11(7)12(15)10-4-3-5-16-10/h3-6,13H,1-2H3
InChIKeyDMZWWJKWYKMMND-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.74
Rot. Bonds3

About 2,4-dimethyl-5-(thiophene-2-carbonyl)-1H-pyrrole-3-carbaldehyde

2,4-dimethyl-5-(thiophene-2-carbonyl)-1H-pyrrole-3-carbaldehyde (PubChem CID 82390025) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2,4-dimethyl-5-(thiophene-2-carbonyl)-1H-pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name2,4-dimethyl-5-(thiophene-2-carbonyl)-1H-pyrrole-3-carbaldehyde
PubChem CID82390025
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name2,4-dimethyl-5-(thiophene-2-carbonyl)-1H-pyrrole-3-carbaldehyde
SMILESCc1[nH]c(C(=O)c2cccs2)c(C)c1C=O
InChIInChI=1S/C12H11NO2S/c1-7-9(6-14)8(2)13-11(7)12(15)10-4-3-5-16-10/h3-6,13H,1-2H3
InChIKeyDMZWWJKWYKMMND-UHFFFAOYSA-N
XLogP2.74
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.74
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

2-methyl-3-(thiophene-2-carbonyl)indolizine-1-carbaldehyde
CID 2121152
(2-methylthiophen-3-yl)-thiophen-2-ylmethanone
CID 102830577
dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
CID 161486915
2-oxo-2-thiophen-2-ylacetaldehyde
CID 5272214
ethyl 2-[2-(thiophene-2-carbonyl)-1H-indol-3-yl]acetate
CID 138373891
ethyl 3,5-dimethyl-4-[2-[methyl(thiophene-2-carbonyl)amino]propanoyl]-1H-pyrrole-2-carboxylate
CID 42674496
methyl 4-(2-cyano-3-oxo-3-thiophen-2-ylprop-1-enyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 2822591
methyl 3,5-dimethyl-4-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]-1H-pyrrole-2-carboxylate
CID 42672971
(4-fluoro-1H-pyrazol-5-yl)-thiophen-2-ylmethanone
CID 135053389
ethyl 3-methyl-4-(thiophene-2-carbonyl)-1H-pyrrole-2-carboxylate
CID 102534196
3,5-dimethyl-4-[(E)-3-thiophen-2-ylprop-2-enoyl]-1H-pyrrole-2-carboxylate
CID 9187759
(5-methyl-2-phenylfuran-3-yl)-thiophen-2-ylmethanone
CID 134835171

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(thiophene-2-carbonyl)-1H-pyrrole-3-carbaldehyde?
The IUPAC name of 2,4-dimethyl-5-(thiophene-2-carbonyl)-1H-pyrrole-3-carbaldehyde (CID 82390025) is 2,4-dimethyl-5-(thiophene-2-carbonyl)-1H-pyrrole-3-carbaldehyde.
What is the SMILES notation for 2,4-dimethyl-5-(thiophene-2-carbonyl)-1H-pyrrole-3-carbaldehyde?
The canonical SMILES for 2,4-dimethyl-5-(thiophene-2-carbonyl)-1H-pyrrole-3-carbaldehyde is Cc1[nH]c(C(=O)c2cccs2)c(C)c1C=O.
What is the InChIKey of 2,4-dimethyl-5-(thiophene-2-carbonyl)-1H-pyrrole-3-carbaldehyde?
The InChIKey is DMZWWJKWYKMMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-7-9(6-14)8(2)13-11(7)12(15)10-4-3-5-16-10/h3-6,13H,1-2H3.
What are the key properties of 2,4-dimethyl-5-(thiophene-2-carbonyl)-1H-pyrrole-3-carbaldehyde?
2,4-dimethyl-5-(thiophene-2-carbonyl)-1H-pyrrole-3-carbaldehyde has a molecular weight of 233.29 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(thiophene-2-carbonyl)-1H-pyrrole-3-carbaldehyde is sourced from PubChem (CID 82390025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).