7-methyl-2-(2,4,5-trimethylphenyl)indolizine-3-carbaldehyde

C19H19NO — CID 3761095

IUPAC7-methyl-2-(2,4,5-trimethylphenyl)indolizine-3-carbaldehyde
SMILESCc1ccn2c(C=O)c(-c3cc(C)c(C)cc3C)cc2c1
InChIInChI=1S/C19H19NO/c1-12-5-6-20-16(7-12)10-18(19(20)11-21)17-9-14(3)13(2)8-15(17)4/h5-11H,1-4H3
InChIKeyOCNNJMHJVFSTKZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.65
Rot. Bonds2

About 7-methyl-2-(2,4,5-trimethylphenyl)indolizine-3-carbaldehyde

7-methyl-2-(2,4,5-trimethylphenyl)indolizine-3-carbaldehyde (PubChem CID 3761095) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 7-methyl-2-(2,4,5-trimethylphenyl)indolizine-3-carbaldehyde.

Molecular Properties

Compound Name7-methyl-2-(2,4,5-trimethylphenyl)indolizine-3-carbaldehyde
PubChem CID3761095
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name7-methyl-2-(2,4,5-trimethylphenyl)indolizine-3-carbaldehyde
SMILESCc1ccn2c(C=O)c(-c3cc(C)c(C)cc3C)cc2c1
InChIInChI=1S/C19H19NO/c1-12-5-6-20-16(7-12)10-18(19(20)11-21)17-9-14(3)13(2)8-15(17)4/h5-11H,1-4H3
InChIKeyOCNNJMHJVFSTKZ-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

2-(5-chloro-2-methoxy-4-methylphenyl)-7-methylindolizine-3-carbaldehyde
CID 3733875
7-methyl-2-pyridin-4-ylindolizine-3-carbaldehyde
CID 4615625
7-methyl-2-(5-methylfuran-2-yl)indolizine-3-carbaldehyde
CID 3805643
2-(4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde
CID 3786843
2-(4-ethylphenyl)-7-methylindolizine-3-carbaldehyde
CID 3821498
2-(3-chloro-4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde
CID 3697846
2-(4-ethylsulfonylphenyl)-7-methylindolizine-3-carbaldehyde
CID 4220459
2-(3,5-ditert-butyl-4-ethoxyphenyl)-7-methylindolizine-3-carbaldehyde
CID 3794557
7-methyl-2-(5-methyl-3-nitro-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3493847
7-methyl-2-(3-nitro-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3837589
3,7-dimethylindolizine
CID 59539272
2-(4-chloro-3-methylphenyl)indolizine-3-carbaldehyde
CID 4680448

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(2,4,5-trimethylphenyl)indolizine-3-carbaldehyde?
The IUPAC name of 7-methyl-2-(2,4,5-trimethylphenyl)indolizine-3-carbaldehyde (CID 3761095) is 7-methyl-2-(2,4,5-trimethylphenyl)indolizine-3-carbaldehyde.
What is the SMILES notation for 7-methyl-2-(2,4,5-trimethylphenyl)indolizine-3-carbaldehyde?
The canonical SMILES for 7-methyl-2-(2,4,5-trimethylphenyl)indolizine-3-carbaldehyde is Cc1ccn2c(C=O)c(-c3cc(C)c(C)cc3C)cc2c1.
What is the InChIKey of 7-methyl-2-(2,4,5-trimethylphenyl)indolizine-3-carbaldehyde?
The InChIKey is OCNNJMHJVFSTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-12-5-6-20-16(7-12)10-18(19(20)11-21)17-9-14(3)13(2)8-15(17)4/h5-11H,1-4H3.
What are the key properties of 7-methyl-2-(2,4,5-trimethylphenyl)indolizine-3-carbaldehyde?
7-methyl-2-(2,4,5-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 7-methyl-2-(2,4,5-trimethylphenyl)indolizine-3-carbaldehyde is sourced from PubChem (CID 3761095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).