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

C18H17NO — CID 3821498

IUPAC2-(4-ethylphenyl)-7-methylindolizine-3-carbaldehyde
SMILESCCc1ccc(-c2cc3cc(C)ccn3c2C=O)cc1
InChIInChI=1S/C18H17NO/c1-3-14-4-6-15(7-5-14)17-11-16-10-13(2)8-9-19(16)18(17)12-20/h4-12H,3H2,1-2H3
InChIKeyXTPJDMONPMWYJJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.29
Rot. Bonds3

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

2-(4-ethylphenyl)-7-methylindolizine-3-carbaldehyde (PubChem CID 3821498) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-7-methylindolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-ethylphenyl)-7-methylindolizine-3-carbaldehyde
PubChem CID3821498
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name2-(4-ethylphenyl)-7-methylindolizine-3-carbaldehyde
SMILESCCc1ccc(-c2cc3cc(C)ccn3c2C=O)cc1
InChIInChI=1S/C18H17NO/c1-3-14-4-6-15(7-5-14)17-11-16-10-13(2)8-9-19(16)18(17)12-20/h4-12H,3H2,1-2H3
InChIKeyXTPJDMONPMWYJJ-UHFFFAOYSA-N
XLogP4.29
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.29
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-(4-ethylsulfonylphenyl)-7-methylindolizine-3-carbaldehyde
CID 4220459
2-(4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde
CID 3786843
7-methyl-2-(2,4,5-trimethylphenyl)indolizine-3-carbaldehyde
CID 3761095
2-(3-chloro-4-methoxyphenyl)-7-methylindolizine-3-carbaldehyde
CID 3697846
2-(3,5-ditert-butyl-4-ethoxyphenyl)-7-methylindolizine-3-carbaldehyde
CID 3794557
7-methyl-2-(5-methylfuran-2-yl)indolizine-3-carbaldehyde
CID 3805643
7-methyl-2-(3-nitro-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3837589
6-ethyl-2-pyridin-4-ylindolizine-3-carbaldehyde
CID 3764927
6-ethyl-2-(4-ethylsulfanylphenyl)indolizine-3-carbaldehyde
CID 5104649
6-ethyl-2-(4-methoxy-3,5-dimethylphenyl)indolizine-3-carbaldehyde
CID 4314891
2-(5-chloro-2-methoxy-4-methylphenyl)-7-methylindolizine-3-carbaldehyde
CID 3733875
7-methyl-2-(5-methyl-3-nitro-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3493847

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-7-methylindolizine-3-carbaldehyde?
The IUPAC name of 2-(4-ethylphenyl)-7-methylindolizine-3-carbaldehyde (CID 3821498) is 2-(4-ethylphenyl)-7-methylindolizine-3-carbaldehyde.
What is the SMILES notation for 2-(4-ethylphenyl)-7-methylindolizine-3-carbaldehyde?
The canonical SMILES for 2-(4-ethylphenyl)-7-methylindolizine-3-carbaldehyde is CCc1ccc(-c2cc3cc(C)ccn3c2C=O)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-7-methylindolizine-3-carbaldehyde?
The InChIKey is XTPJDMONPMWYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-3-14-4-6-15(7-5-14)17-11-16-10-13(2)8-9-19(16)18(17)12-20/h4-12H,3H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-7-methylindolizine-3-carbaldehyde?
2-(4-ethylphenyl)-7-methylindolizine-3-carbaldehyde has a molecular weight of 263.34 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-7-methylindolizine-3-carbaldehyde is sourced from PubChem (CID 3821498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).