7-methyl-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde

C15H13NOS — CID 3799575

IUPAC7-methyl-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde
SMILESCc1ccc(-c2[nH]c3c(C)cccc3c2C=O)s1
InChIInChI=1S/C15H13NOS/c1-9-4-3-5-11-12(8-17)15(16-14(9)11)13-7-6-10(2)18-13/h3-8,16H,1-2H3
InChIKeyPLEOOCMCZVQMAC-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.33
Rot. Bonds2

About 7-methyl-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde

7-methyl-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde (PubChem CID 3799575) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 7-methyl-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name7-methyl-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde
PubChem CID3799575
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name7-methyl-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde
SMILESCc1ccc(-c2[nH]c3c(C)cccc3c2C=O)s1
InChIInChI=1S/C15H13NOS/c1-9-4-3-5-11-12(8-17)15(16-14(9)11)13-7-6-10(2)18-13/h3-8,16H,1-2H3
InChIKeyPLEOOCMCZVQMAC-UHFFFAOYSA-N
XLogP4.33
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde
CID 3590182
7-methyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 3762825
2-(5-ethylthiophen-2-yl)-1H-benzo[g]indole-3-carbaldehyde
CID 5131425
2-(2,3-difluorophenyl)-7-methyl-1H-indole-3-carbaldehyde
CID 87405106
3-formyl-2-(5-methylthiophen-2-yl)-1H-indole-5-carbonitrile
CID 3261971
2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 4298784
2-(5-bromothiophen-2-yl)-1H-indole-3-carbaldehyde
CID 82050108
2,6-dimethylbenzaldehyde
CID 159545887
2-(2,5-dimethylthiophen-3-yl)-7-fluoro-1H-indole-3-carbaldehyde
CID 3611207
2-(5-ethylthiophen-2-yl)-5-methyl-1H-indole-3-carbaldehyde
CID 5238228
5,7-dimethyl-2-(2-methylphenyl)-1H-indole-3-carbaldehyde
CID 3776362
2-(3,4-dimethylphenyl)-1H-benzo[g]indole-3-carbaldehyde
CID 3533035

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde?
The IUPAC name of 7-methyl-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde (CID 3799575) is 7-methyl-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 7-methyl-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 7-methyl-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde is Cc1ccc(-c2[nH]c3c(C)cccc3c2C=O)s1.
What is the InChIKey of 7-methyl-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde?
The InChIKey is PLEOOCMCZVQMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c1-9-4-3-5-11-12(8-17)15(16-14(9)11)13-7-6-10(2)18-13/h3-8,16H,1-2H3.
What are the key properties of 7-methyl-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde?
7-methyl-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde has a molecular weight of 255.34 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3799575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).