1-benzyl-2,5-dimethylpyrrole;ethane

C15H21N — CID 142383024

IUPAC1-benzyl-2,5-dimethylpyrrole;ethane
SMILESCC.Cc1ccc(C)n1Cc1ccccc1
InChIInChI=1S/C13H15N.C2H6/c1-11-8-9-12(2)14(11)10-13-6-4-3-5-7-13;1-2/h3-9H,10H2,1-2H3;1-2H3
InChIKeyWVMFGSONTYRFNS-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.18
Rot. Bonds2

About 1-benzyl-2,5-dimethylpyrrole;ethane

1-benzyl-2,5-dimethylpyrrole;ethane (PubChem CID 142383024) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-benzyl-2,5-dimethylpyrrole;ethane.

Molecular Properties

Compound Name1-benzyl-2,5-dimethylpyrrole;ethane
PubChem CID142383024
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name1-benzyl-2,5-dimethylpyrrole;ethane
SMILESCC.Cc1ccc(C)n1Cc1ccccc1
InChIInChI=1S/C13H15N.C2H6/c1-11-8-9-12(2)14(11)10-13-6-4-3-5-7-13;1-2/h3-9H,10H2,1-2H3;1-2H3
InChIKeyWVMFGSONTYRFNS-UHFFFAOYSA-N
XLogP4.18
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_N(1)', 'substructure': 'N/A'}

Analyze 1-benzyl-2,5-dimethylpyrrole;ethane 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-benzyl-5-methyl-2-phenylimidazole
CID 10467205
3-benzyl-4-methyl-1,3-thiazole-2-thione
CID 12658730
1-benzyl-2,5-dichloropyrrole
CID 12713084
methyl (E)-3-(1-benzyl-5-methylpyrrol-2-yl)prop-2-enoate
CID 59170410
methyl 3-(1-benzyl-5-methylpyrrol-2-yl)prop-2-enoate
CID 68545689
1-benzyl-5-methyl-2-methylsulfanylimidazole
CID 58970640
1-benzyl-3,5-dimethylpyrrole-2-carbaldehyde
CID 20620924
1-[3-[(2,5-dimethylpyrrol-1-yl)methyl]phenyl]ethanone
CID 135176722
2-methyl-1,5-bis(2-phenylethyl)pyrrole
CID 102088618
1,2,5-tribenzylpyrrole
CID 15072584
3-benzyl-4-methyl-1,3-thiazol-2-imine
CID 1100270
1-benzyl-6-chloro-2-methylindole
CID 121404424

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,5-dimethylpyrrole;ethane?
The IUPAC name of 1-benzyl-2,5-dimethylpyrrole;ethane (CID 142383024) is 1-benzyl-2,5-dimethylpyrrole;ethane.
What is the SMILES notation for 1-benzyl-2,5-dimethylpyrrole;ethane?
The canonical SMILES for 1-benzyl-2,5-dimethylpyrrole;ethane is CC.Cc1ccc(C)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2,5-dimethylpyrrole;ethane?
The InChIKey is WVMFGSONTYRFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C2H6/c1-11-8-9-12(2)14(11)10-13-6-4-3-5-7-13;1-2/h3-9H,10H2,1-2H3;1-2H3.
What are the key properties of 1-benzyl-2,5-dimethylpyrrole;ethane?
1-benzyl-2,5-dimethylpyrrole;ethane has a molecular weight of 215.34 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,5-dimethylpyrrole;ethane is sourced from PubChem (CID 142383024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).