2-methyl-5-(4-propan-2-ylphenyl)-1-propylpyrrole

C17H23N — CID 82084768

IUPAC2-methyl-5-(4-propan-2-ylphenyl)-1-propylpyrrole
SMILESCCCn1c(C)ccc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C17H23N/c1-5-12-18-14(4)6-11-17(18)16-9-7-15(8-10-16)13(2)3/h6-11,13H,5,12H2,1-4H3
InChIKeyFJQOBXXCZYAPOE-UHFFFAOYSA-N
MW241.38 g/mol
LogP5.00
Rot. Bonds4

About 2-methyl-5-(4-propan-2-ylphenyl)-1-propylpyrrole

2-methyl-5-(4-propan-2-ylphenyl)-1-propylpyrrole (PubChem CID 82084768) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-methyl-5-(4-propan-2-ylphenyl)-1-propylpyrrole.

Molecular Properties

Compound Name2-methyl-5-(4-propan-2-ylphenyl)-1-propylpyrrole
PubChem CID82084768
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name2-methyl-5-(4-propan-2-ylphenyl)-1-propylpyrrole
SMILESCCCn1c(C)ccc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C17H23N/c1-5-12-18-14(4)6-11-17(18)16-9-7-15(8-10-16)13(2)3/h6-11,13H,5,12H2,1-4H3
InChIKeyFJQOBXXCZYAPOE-UHFFFAOYSA-N
XLogP5.00
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

Analyze 2-methyl-5-(4-propan-2-ylphenyl)-1-propylpyrrole 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

2-(4-methoxyphenyl)-5-methyl-1-propylpyrrole
CID 82081578
2-methyl-5-propan-2-yl-1-propylpyrrole
CID 91672097
[5-(4-propan-2-ylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 112593737
4-(1-dodecyl-5-methylpyrrol-2-yl)phenol
CID 22387704
3-(1-aminoethyl)-1-ethyl-6-(4-propan-2-ylphenyl)pyridin-2-one
CID 82520425
1-ethyl-6-(4-propan-2-ylphenyl)-3-(sulfanylmethyl)pyridin-2-one
CID 82520429
1-ethyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde
CID 82520438
2-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)pyrrole
CID 53416298
1-methyl-5-(4-propan-2-ylphenyl)pyrrole-2-carbaldehyde
CID 28811544
4-phenyl-N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-1-propylpyrrol-2-yl]phenyl]aniline
CID 90058040
3-[(4-methylphenyl)methylsulfanyl]-5-propan-2-yl-4-propyl-1,2,4-triazole
CID 19717278
1-(4-butan-2-ylphenyl)-2-methyl-5-phenylpyrrole
CID 4763664

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-propan-2-ylphenyl)-1-propylpyrrole?
The IUPAC name of 2-methyl-5-(4-propan-2-ylphenyl)-1-propylpyrrole (CID 82084768) is 2-methyl-5-(4-propan-2-ylphenyl)-1-propylpyrrole.
What is the SMILES notation for 2-methyl-5-(4-propan-2-ylphenyl)-1-propylpyrrole?
The canonical SMILES for 2-methyl-5-(4-propan-2-ylphenyl)-1-propylpyrrole is CCCn1c(C)ccc1-c1ccc(C(C)C)cc1.
What is the InChIKey of 2-methyl-5-(4-propan-2-ylphenyl)-1-propylpyrrole?
The InChIKey is FJQOBXXCZYAPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-5-12-18-14(4)6-11-17(18)16-9-7-15(8-10-16)13(2)3/h6-11,13H,5,12H2,1-4H3.
What are the key properties of 2-methyl-5-(4-propan-2-ylphenyl)-1-propylpyrrole?
2-methyl-5-(4-propan-2-ylphenyl)-1-propylpyrrole has a molecular weight of 241.38 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-propan-2-ylphenyl)-1-propylpyrrole is sourced from PubChem (CID 82084768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).