2,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbaldehyde

C15H17NO2 — CID 6493745

IUPAC2,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbaldehyde
SMILESCc1cc(C=O)c(C)n1CCOc1ccccc1
InChIInChI=1S/C15H17NO2/c1-12-10-14(11-17)13(2)16(12)8-9-18-15-6-4-3-5-7-15/h3-7,10-11H,8-9H2,1-2H3
InChIKeyLWLSRIBDEYWGJV-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.00
Rot. Bonds5

About 2,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbaldehyde

2,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbaldehyde (PubChem CID 6493745) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name2,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbaldehyde
PubChem CID6493745
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbaldehyde
SMILESCc1cc(C=O)c(C)n1CCOc1ccccc1
InChIInChI=1S/C15H17NO2/c1-12-10-14(11-17)13(2)16(12)8-9-18-15-6-4-3-5-7-15/h3-7,10-11H,8-9H2,1-2H3
InChIKeyLWLSRIBDEYWGJV-UHFFFAOYSA-N
XLogP3.00
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.00
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

5-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-(2-phenoxyethyl)-1,3-thiazolidine-2,4-dione
CID 71952088
1-(2-but-3-enoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 106402129
2-methyl-4-(2-phenoxyethoxy)benzaldehyde
CID 79118702
1-[(2-ethylphenyl)methyl]-2,5-dimethylpyrrole-3-carbaldehyde
CID 64693629
5-methyl-2-(2-phenoxyethoxy)benzaldehyde
CID 54794871
3-(3-formyl-2,5-dimethylpyrrol-1-yl)propanamide
CID 43553582
2-(3-phenoxypropoxy)benzaldehyde
CID 60665355
2-methyl-4-(2-phenoxyethylamino)benzaldehyde
CID 154188112
2-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidenehydrazinylidene]-1,2-diphenylethanone
CID 3249979
5-bromo-1-(2-phenoxyethyl)indole-3-carbaldehyde
CID 951743
5-chloro-3-methoxy-2-(2-phenoxyethoxy)benzaldehyde
CID 104665438
methyl 3-[2-(3-formyl-2-methylindol-1-yl)ethoxy]benzoate
CID 176898922

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbaldehyde?
The IUPAC name of 2,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbaldehyde (CID 6493745) is 2,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbaldehyde.
What is the SMILES notation for 2,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbaldehyde?
The canonical SMILES for 2,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbaldehyde is Cc1cc(C=O)c(C)n1CCOc1ccccc1.
What is the InChIKey of 2,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbaldehyde?
The InChIKey is LWLSRIBDEYWGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-12-10-14(11-17)13(2)16(12)8-9-18-15-6-4-3-5-7-15/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 2,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbaldehyde?
2,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbaldehyde has a molecular weight of 243.31 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbaldehyde is sourced from PubChem (CID 6493745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).