2-(4-tert-butylphenyl)-8-methylindolizine-3-carbaldehyde

C20H21NO — CID 3836029

IUPAC2-(4-tert-butylphenyl)-8-methylindolizine-3-carbaldehyde
SMILESCc1cccn2c(C=O)c(-c3ccc(C(C)(C)C)cc3)cc12
InChIInChI=1S/C20H21NO/c1-14-6-5-11-21-18(14)12-17(19(21)13-22)15-7-9-16(10-8-15)20(2,3)4/h5-13H,1-4H3
InChIKeyZLXVQQLSZGPXMC-UHFFFAOYSA-N
MW291.39 g/mol
LogP5.02
Rot. Bonds2

About 2-(4-tert-butylphenyl)-8-methylindolizine-3-carbaldehyde

2-(4-tert-butylphenyl)-8-methylindolizine-3-carbaldehyde (PubChem CID 3836029) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-8-methylindolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-8-methylindolizine-3-carbaldehyde
PubChem CID3836029
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name2-(4-tert-butylphenyl)-8-methylindolizine-3-carbaldehyde
SMILESCc1cccn2c(C=O)c(-c3ccc(C(C)(C)C)cc3)cc12
InChIInChI=1S/C20H21NO/c1-14-6-5-11-21-18(14)12-17(19(21)13-22)15-7-9-16(10-8-15)20(2,3)4/h5-13H,1-4H3
InChIKeyZLXVQQLSZGPXMC-UHFFFAOYSA-N
XLogP5.02
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.39
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-tert-butylphenyl)-8-methylindolizine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-methyl-2-(4-phenylphenyl)indolizine-3-carbaldehyde
CID 3837530
2-(4-chlorophenyl)-8-methylindolizine-3-carbaldehyde
CID 3403096
8-methyl-2-(2,4,6-trimethylphenyl)indolizine-3-carbaldehyde
CID 3451142
8-methyl-2-(5-methyl-2-methylsulfonylphenyl)indolizine-3-carbaldehyde
CID 3691812
2-(3-chloro-4-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 3697340
2-(4-methoxynaphthalen-1-yl)-8-methylindolizine-3-carbaldehyde
CID 3805664
2-(2-benzylsulfanyl-5-chlorophenyl)-8-methylindolizine-3-carbaldehyde
CID 3734049
2-(5-butan-2-yl-2-phenylmethoxyphenyl)-8-methylindolizine-3-carbaldehyde
CID 3719157
2-(3-tert-butyl-4-methoxyphenyl)indolizine-3-carbaldehyde
CID 3651046
ethyl 2-(5-tert-butyl-2-ethoxyphenyl)-3-formylindolizine-1-carboxylate
CID 3400670
2,8-dimethylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 2758567
2-chloro-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 82529691

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-8-methylindolizine-3-carbaldehyde?
The IUPAC name of 2-(4-tert-butylphenyl)-8-methylindolizine-3-carbaldehyde (CID 3836029) is 2-(4-tert-butylphenyl)-8-methylindolizine-3-carbaldehyde.
What is the SMILES notation for 2-(4-tert-butylphenyl)-8-methylindolizine-3-carbaldehyde?
The canonical SMILES for 2-(4-tert-butylphenyl)-8-methylindolizine-3-carbaldehyde is Cc1cccn2c(C=O)c(-c3ccc(C(C)(C)C)cc3)cc12.
What is the InChIKey of 2-(4-tert-butylphenyl)-8-methylindolizine-3-carbaldehyde?
The InChIKey is ZLXVQQLSZGPXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-14-6-5-11-21-18(14)12-17(19(21)13-22)15-7-9-16(10-8-15)20(2,3)4/h5-13H,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-8-methylindolizine-3-carbaldehyde?
2-(4-tert-butylphenyl)-8-methylindolizine-3-carbaldehyde has a molecular weight of 291.39 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-8-methylindolizine-3-carbaldehyde is sourced from PubChem (CID 3836029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).