2,5-dimethyl-1-[2-(3-methylphenyl)ethyl]pyrrole-3-carbaldehyde

C16H19NO — CID 62312680

IUPAC2,5-dimethyl-1-[2-(3-methylphenyl)ethyl]pyrrole-3-carbaldehyde
SMILESCc1cccc(CCn2c(C)cc(C=O)c2C)c1
InChIInChI=1S/C16H19NO/c1-12-5-4-6-15(9-12)7-8-17-13(2)10-16(11-18)14(17)3/h4-6,9-11H,7-8H2,1-3H3
InChIKeyYTQRZGQICJJIAH-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.47
Rot. Bonds4

About 2,5-dimethyl-1-[2-(3-methylphenyl)ethyl]pyrrole-3-carbaldehyde

2,5-dimethyl-1-[2-(3-methylphenyl)ethyl]pyrrole-3-carbaldehyde (PubChem CID 62312680) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2,5-dimethyl-1-[2-(3-methylphenyl)ethyl]pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name2,5-dimethyl-1-[2-(3-methylphenyl)ethyl]pyrrole-3-carbaldehyde
PubChem CID62312680
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2,5-dimethyl-1-[2-(3-methylphenyl)ethyl]pyrrole-3-carbaldehyde
SMILESCc1cccc(CCn2c(C)cc(C=O)c2C)c1
InChIInChI=1S/C16H19NO/c1-12-5-4-6-15(9-12)7-8-17-13(2)10-16(11-18)14(17)3/h4-6,9-11H,7-8H2,1-3H3
InChIKeyYTQRZGQICJJIAH-UHFFFAOYSA-N
XLogP3.47
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,5-dimethyl-1-[2-(3-methylphenyl)ethyl]pyrrole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(5-bromothiophen-2-yl)ethyl]-2,5-dimethylpyrrole-3-carbaldehyde
CID 106033321
1-[(2-ethylphenyl)methyl]-2,5-dimethylpyrrole-3-carbaldehyde
CID 64693629
2,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbaldehyde
CID 6493745
1-[(4-chlorophenyl)methyl]-2,5-dimethylpyrrole-3-carbaldehyde
CID 23008567
1,2-dimethyl-5-(3-methylphenyl)pyrrole-3-carbaldehyde
CID 177046996
5-[2-(3-methylphenyl)ethyl]-1H-pyrazole-4-carbaldehyde
CID 112709308
3-chloro-5-methyl-4-[2-(3-methylphenyl)ethyl]-1,2,4-triazole
CID 63385719
4-[(3-methylphenyl)methyl]-1H-pyrrole-3-carbaldehyde
CID 82397823
6-methyl-3-[2-(3-methylphenyl)ethyl]-1H-benzimidazole-2-thione
CID 63547293
2-(3-formyl-2,5-dimethylpyrrol-1-yl)acetonitrile
CID 39869824
1-[2-(3-methylphenyl)ethyl]pyrrolidin-3-one
CID 62315382
1-(2-but-3-enoxyethyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 106402129

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[2-(3-methylphenyl)ethyl]pyrrole-3-carbaldehyde?
The IUPAC name of 2,5-dimethyl-1-[2-(3-methylphenyl)ethyl]pyrrole-3-carbaldehyde (CID 62312680) is 2,5-dimethyl-1-[2-(3-methylphenyl)ethyl]pyrrole-3-carbaldehyde.
What is the SMILES notation for 2,5-dimethyl-1-[2-(3-methylphenyl)ethyl]pyrrole-3-carbaldehyde?
The canonical SMILES for 2,5-dimethyl-1-[2-(3-methylphenyl)ethyl]pyrrole-3-carbaldehyde is Cc1cccc(CCn2c(C)cc(C=O)c2C)c1.
What is the InChIKey of 2,5-dimethyl-1-[2-(3-methylphenyl)ethyl]pyrrole-3-carbaldehyde?
The InChIKey is YTQRZGQICJJIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-5-4-6-15(9-12)7-8-17-13(2)10-16(11-18)14(17)3/h4-6,9-11H,7-8H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-[2-(3-methylphenyl)ethyl]pyrrole-3-carbaldehyde?
2,5-dimethyl-1-[2-(3-methylphenyl)ethyl]pyrrole-3-carbaldehyde has a molecular weight of 241.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[2-(3-methylphenyl)ethyl]pyrrole-3-carbaldehyde is sourced from PubChem (CID 62312680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).