6-ethyl-2-(4-ethylsulfanylphenyl)indolizine-3-carbaldehyde

C19H19NOS — CID 5104649

IUPAC6-ethyl-2-(4-ethylsulfanylphenyl)indolizine-3-carbaldehyde
SMILESCCSc1ccc(-c2cc3ccc(CC)cn3c2C=O)cc1
InChIInChI=1S/C19H19NOS/c1-3-14-5-8-16-11-18(19(13-21)20(16)12-14)15-6-9-17(10-7-15)22-4-2/h5-13H,3-4H2,1-2H3
InChIKeyUQRKOESPBGPARZ-UHFFFAOYSA-N
MW309.43 g/mol
LogP5.09
Rot. Bonds5

About 6-ethyl-2-(4-ethylsulfanylphenyl)indolizine-3-carbaldehyde

6-ethyl-2-(4-ethylsulfanylphenyl)indolizine-3-carbaldehyde (PubChem CID 5104649) has the molecular formula C19H19NOS and a molecular weight of 309.43 g/mol. Its IUPAC name is 6-ethyl-2-(4-ethylsulfanylphenyl)indolizine-3-carbaldehyde.

Molecular Properties

Compound Name6-ethyl-2-(4-ethylsulfanylphenyl)indolizine-3-carbaldehyde
PubChem CID5104649
Molecular FormulaC19H19NOS
Molecular Weight309.43 g/mol
Exact Mass309.12
IUPAC Name6-ethyl-2-(4-ethylsulfanylphenyl)indolizine-3-carbaldehyde
SMILESCCSc1ccc(-c2cc3ccc(CC)cn3c2C=O)cc1
InChIInChI=1S/C19H19NOS/c1-3-14-5-8-16-11-18(19(13-21)20(16)12-14)15-6-9-17(10-7-15)22-4-2/h5-13H,3-4H2,1-2H3
InChIKeyUQRKOESPBGPARZ-UHFFFAOYSA-N
XLogP5.09
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.43
LogP ≤ 55.09
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

6-ethyl-2-pyridin-4-ylindolizine-3-carbaldehyde
CID 3764927
6-ethyl-2-(4-methoxy-3,5-dimethylphenyl)indolizine-3-carbaldehyde
CID 4314891
6-ethyl-2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde
CID 3696408
2-(3,5-ditert-butyl-4-ethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
CID 3773979
2-(4-ethylphenyl)-7-methylindolizine-3-carbaldehyde
CID 3821498
2-(1,2-dihydroacenaphthylen-5-yl)-6-ethylindolizine-3-carbaldehyde
CID 3750993
2-(2,4-diethoxynaphthalen-1-yl)-6-ethylindolizine-3-carbaldehyde
CID 3750994
2-(4,5-dimethyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
CID 3819347
2-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-6-ethylindolizine-3-carbaldehyde
CID 3652489
4-(4-ethylsulfanylphenyl)benzaldehyde
CID 1392870
3,6-diethylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 112552199
7-ethyl-2-methylpyrido[1,2-c]pyrimidine-1,3-dione
CID 71067037

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(4-ethylsulfanylphenyl)indolizine-3-carbaldehyde?
The IUPAC name of 6-ethyl-2-(4-ethylsulfanylphenyl)indolizine-3-carbaldehyde (CID 5104649) is 6-ethyl-2-(4-ethylsulfanylphenyl)indolizine-3-carbaldehyde.
What is the SMILES notation for 6-ethyl-2-(4-ethylsulfanylphenyl)indolizine-3-carbaldehyde?
The canonical SMILES for 6-ethyl-2-(4-ethylsulfanylphenyl)indolizine-3-carbaldehyde is CCSc1ccc(-c2cc3ccc(CC)cn3c2C=O)cc1.
What is the InChIKey of 6-ethyl-2-(4-ethylsulfanylphenyl)indolizine-3-carbaldehyde?
The InChIKey is UQRKOESPBGPARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NOS/c1-3-14-5-8-16-11-18(19(13-21)20(16)12-14)15-6-9-17(10-7-15)22-4-2/h5-13H,3-4H2,1-2H3.
What are the key properties of 6-ethyl-2-(4-ethylsulfanylphenyl)indolizine-3-carbaldehyde?
6-ethyl-2-(4-ethylsulfanylphenyl)indolizine-3-carbaldehyde has a molecular weight of 309.43 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(4-ethylsulfanylphenyl)indolizine-3-carbaldehyde is sourced from PubChem (CID 5104649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).