2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde

C19H19NO2 — CID 3753661

IUPAC2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde
SMILESCOc1ccc(-c2cc3ccccn3c2C=O)cc1C(C)C
InChIInChI=1S/C19H19NO2/c1-13(2)16-10-14(7-8-19(16)22-3)17-11-15-6-4-5-9-20(15)18(17)12-21/h4-13H,1-3H3
InChIKeyFOFZGIHUXKFRJB-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.55
Rot. Bonds4

About 2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde

2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde (PubChem CID 3753661) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde
PubChem CID3753661
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde
SMILESCOc1ccc(-c2cc3ccccn3c2C=O)cc1C(C)C
InChIInChI=1S/C19H19NO2/c1-13(2)16-10-14(7-8-19(16)22-3)17-11-15-6-4-5-9-20(15)18(17)12-21/h4-13H,1-3H3
InChIKeyFOFZGIHUXKFRJB-UHFFFAOYSA-N
XLogP4.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde?
The IUPAC name of 2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde (CID 3753661) is 2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde.
What is the SMILES notation for 2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde?
The canonical SMILES for 2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde is COc1ccc(-c2cc3ccccn3c2C=O)cc1C(C)C.
What is the InChIKey of 2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde?
The InChIKey is FOFZGIHUXKFRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-13(2)16-10-14(7-8-19(16)22-3)17-11-15-6-4-5-9-20(15)18(17)12-21/h4-13H,1-3H3.
What are the key properties of 2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde?
2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde has a molecular weight of 293.37 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde is sourced from PubChem (CID 3753661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).