2-(4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde

C17H15NO2 — CID 3786843

IUPAC2-(4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde
SMILESCOc1ccc(-c2cc3cc(C)ccn3c2C=O)cc1
InChIInChI=1S/C17H15NO2/c1-12-7-8-18-14(9-12)10-16(17(18)11-19)13-3-5-15(20-2)6-4-13/h3-11H,1-2H3
InChIKeyRANBIYPDFFZKPH-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.74
Rot. Bonds3

About 2-(4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde

2-(4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde (PubChem CID 3786843) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde
PubChem CID3786843
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-(4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde
SMILESCOc1ccc(-c2cc3cc(C)ccn3c2C=O)cc1
InChIInChI=1S/C17H15NO2/c1-12-7-8-18-14(9-12)10-16(17(18)11-19)13-3-5-15(20-2)6-4-13/h3-11H,1-2H3
InChIKeyRANBIYPDFFZKPH-UHFFFAOYSA-N
XLogP3.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.74
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

2-(3-chloro-4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde
CID 3697846
2-(4-ethylphenyl)-7-methylindolizine-3-carbaldehyde
CID 3821498
7-methyl-2-pyridin-4-ylindolizine-3-carbaldehyde
CID 4615625
2-(4-ethylsulfonylphenyl)-7-methylindolizine-3-carbaldehyde
CID 4220459
7-methyl-2-(2,4,5-trimethylphenyl)indolizine-3-carbaldehyde
CID 3761095
7-methyl-2-(5-methylfuran-2-yl)indolizine-3-carbaldehyde
CID 3805643
2-(5-chloro-2-methoxy-4-methylphenyl)-7-methylindolizine-3-carbaldehyde
CID 3733875
2-(3,5-ditert-butyl-4-ethoxyphenyl)-7-methylindolizine-3-carbaldehyde
CID 3794557
3-(4-methoxyphenyl)-7-methylimidazo[1,5-a]pyridine
CID 117144790
7-methyl-2-(3-nitro-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3837589
2-(4-methoxyphenyl)-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 10730461
2-(3-tert-butyl-4-methoxyphenyl)indolizine-3-carbaldehyde
CID 3651046

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde?
The IUPAC name of 2-(4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde (CID 3786843) is 2-(4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde.
What is the SMILES notation for 2-(4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde?
The canonical SMILES for 2-(4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde is COc1ccc(-c2cc3cc(C)ccn3c2C=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde?
The InChIKey is RANBIYPDFFZKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12-7-8-18-14(9-12)10-16(17(18)11-19)13-3-5-15(20-2)6-4-13/h3-11H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde?
2-(4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde has a molecular weight of 265.31 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde is sourced from PubChem (CID 3786843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).