8-methyl-2-(2,4,6-trimethylphenyl)indolizine-3-carbaldehyde

C19H19NO — CID 3451142

IUPAC8-methyl-2-(2,4,6-trimethylphenyl)indolizine-3-carbaldehyde
SMILESCc1cc(C)c(-c2cc3c(C)cccn3c2C=O)c(C)c1
InChIInChI=1S/C19H19NO/c1-12-8-14(3)19(15(4)9-12)16-10-17-13(2)6-5-7-20(17)18(16)11-21/h5-11H,1-4H3
InChIKeyXTKUILWKVNYCAL-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.65
Rot. Bonds2

About 8-methyl-2-(2,4,6-trimethylphenyl)indolizine-3-carbaldehyde

8-methyl-2-(2,4,6-trimethylphenyl)indolizine-3-carbaldehyde (PubChem CID 3451142) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 8-methyl-2-(2,4,6-trimethylphenyl)indolizine-3-carbaldehyde.

Molecular Properties

Compound Name8-methyl-2-(2,4,6-trimethylphenyl)indolizine-3-carbaldehyde
PubChem CID3451142
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name8-methyl-2-(2,4,6-trimethylphenyl)indolizine-3-carbaldehyde
SMILESCc1cc(C)c(-c2cc3c(C)cccn3c2C=O)c(C)c1
InChIInChI=1S/C19H19NO/c1-12-8-14(3)19(15(4)9-12)16-10-17-13(2)6-5-7-20(17)18(16)11-21/h5-11H,1-4H3
InChIKeyXTKUILWKVNYCAL-UHFFFAOYSA-N
XLogP4.65
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-methyl-2-(4-phenylphenyl)indolizine-3-carbaldehyde
CID 3837530
2-(4-fluorophenyl)-8-methylindolizine-3-carbaldehyde
CID 3552647
2-(2,5-dimethylthiophen-3-yl)-8-methylindolizine-3-carbaldehyde
CID 3613512
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-(3,5-dimethyl-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 3796993
2-(2-ethoxy-5-propan-2-ylphenyl)-8-methylindolizine-3-carbaldehyde
CID 3590474
2-(3-butan-2-yl-4-ethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 5195486
2-(3-chloro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 3697340
2-(2-benzylsulfanyl-5-chlorophenyl)-8-methylindolizine-3-carbaldehyde
CID 3734049

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(2,4,6-trimethylphenyl)indolizine-3-carbaldehyde?
The IUPAC name of 8-methyl-2-(2,4,6-trimethylphenyl)indolizine-3-carbaldehyde (CID 3451142) is 8-methyl-2-(2,4,6-trimethylphenyl)indolizine-3-carbaldehyde.
What is the SMILES notation for 8-methyl-2-(2,4,6-trimethylphenyl)indolizine-3-carbaldehyde?
The canonical SMILES for 8-methyl-2-(2,4,6-trimethylphenyl)indolizine-3-carbaldehyde is Cc1cc(C)c(-c2cc3c(C)cccn3c2C=O)c(C)c1.
What is the InChIKey of 8-methyl-2-(2,4,6-trimethylphenyl)indolizine-3-carbaldehyde?
The InChIKey is XTKUILWKVNYCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-12-8-14(3)19(15(4)9-12)16-10-17-13(2)6-5-7-20(17)18(16)11-21/h5-11H,1-4H3.
What are the key properties of 8-methyl-2-(2,4,6-trimethylphenyl)indolizine-3-carbaldehyde?
8-methyl-2-(2,4,6-trimethylphenyl)indolizine-3-carbaldehyde has a molecular weight of 277.37 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(2,4,6-trimethylphenyl)indolizine-3-carbaldehyde is sourced from PubChem (CID 3451142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).