2-(2,5-dimethylthiophen-3-yl)-8-methylindolizine-3-carbaldehyde

C16H15NOS — CID 3613512

IUPAC2-(2,5-dimethylthiophen-3-yl)-8-methylindolizine-3-carbaldehyde
SMILESCc1cc(-c2cc3c(C)cccn3c2C=O)c(C)s1
InChIInChI=1S/C16H15NOS/c1-10-5-4-6-17-15(10)8-14(16(17)9-18)13-7-11(2)19-12(13)3/h4-9H,1-3H3
InChIKeyFDDIJMWQCUMIJS-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.41
Rot. Bonds2

About 2-(2,5-dimethylthiophen-3-yl)-8-methylindolizine-3-carbaldehyde

2-(2,5-dimethylthiophen-3-yl)-8-methylindolizine-3-carbaldehyde (PubChem CID 3613512) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(2,5-dimethylthiophen-3-yl)-8-methylindolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2,5-dimethylthiophen-3-yl)-8-methylindolizine-3-carbaldehyde
PubChem CID3613512
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name2-(2,5-dimethylthiophen-3-yl)-8-methylindolizine-3-carbaldehyde
SMILESCc1cc(-c2cc3c(C)cccn3c2C=O)c(C)s1
InChIInChI=1S/C16H15NOS/c1-10-5-4-6-17-15(10)8-14(16(17)9-18)13-7-11(2)19-12(13)3/h4-9H,1-3H3
InChIKeyFDDIJMWQCUMIJS-UHFFFAOYSA-N
XLogP4.41
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-methyl-2-(2,4,6-trimethylphenyl)indolizine-3-carbaldehyde
CID 3451142
8-methyl-2-(4-phenylphenyl)indolizine-3-carbaldehyde
CID 3837530
2-(4-fluorophenyl)-8-methylindolizine-3-carbaldehyde
CID 3552647
2-(4-chlorophenyl)-8-methylindolizine-3-carbaldehyde
CID 3403096
2-(4-tert-butylphenyl)-8-methylindolizine-3-carbaldehyde
CID 3836029
8-methyl-2-(5-methyl-2-methylsulfonylphenyl)indolizine-3-carbaldehyde
CID 3691812
2-(4-methoxynaphthalen-1-yl)-8-methylindolizine-3-carbaldehyde
CID 3805664
2-(2-ethoxy-5-propan-2-ylphenyl)-8-methylindolizine-3-carbaldehyde
CID 3590474
2-(3,5-dimethyl-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 3796993
2-(2-benzylsulfanyl-5-chlorophenyl)-8-methylindolizine-3-carbaldehyde
CID 3734049
2-(3-butan-2-yl-4-ethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 5195486
2-(5-butan-2-yl-2-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 3719157

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-8-methylindolizine-3-carbaldehyde?
The IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-8-methylindolizine-3-carbaldehyde (CID 3613512) is 2-(2,5-dimethylthiophen-3-yl)-8-methylindolizine-3-carbaldehyde.
What is the SMILES notation for 2-(2,5-dimethylthiophen-3-yl)-8-methylindolizine-3-carbaldehyde?
The canonical SMILES for 2-(2,5-dimethylthiophen-3-yl)-8-methylindolizine-3-carbaldehyde is Cc1cc(-c2cc3c(C)cccn3c2C=O)c(C)s1.
What is the InChIKey of 2-(2,5-dimethylthiophen-3-yl)-8-methylindolizine-3-carbaldehyde?
The InChIKey is FDDIJMWQCUMIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-10-5-4-6-17-15(10)8-14(16(17)9-18)13-7-11(2)19-12(13)3/h4-9H,1-3H3.
What are the key properties of 2-(2,5-dimethylthiophen-3-yl)-8-methylindolizine-3-carbaldehyde?
2-(2,5-dimethylthiophen-3-yl)-8-methylindolizine-3-carbaldehyde has a molecular weight of 269.37 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylthiophen-3-yl)-8-methylindolizine-3-carbaldehyde is sourced from PubChem (CID 3613512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).