2-(2,5-dimethylpyrrol-1-yl)-4-propan-2-ylpyridine

C14H18N2 — CID 175245407

IUPAC2-(2,5-dimethylpyrrol-1-yl)-4-propan-2-ylpyridine
SMILESCc1ccc(C)n1-c1cc(C(C)C)ccn1
InChIInChI=1S/C14H18N2/c1-10(2)13-7-8-15-14(9-13)16-11(3)5-6-12(16)4/h5-10H,1-4H3
InChIKeyODZJAKJMJKXLDX-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.61
Rot. Bonds2

About 2-(2,5-dimethylpyrrol-1-yl)-4-propan-2-ylpyridine

2-(2,5-dimethylpyrrol-1-yl)-4-propan-2-ylpyridine (PubChem CID 175245407) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)-4-propan-2-ylpyridine
PubChem CID175245407
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)-4-propan-2-ylpyridine
SMILESCc1ccc(C)n1-c1cc(C(C)C)ccn1
InChIInChI=1S/C14H18N2/c1-10(2)13-7-8-15-14(9-13)16-11(3)5-6-12(16)4/h5-10H,1-4H3
InChIKeyODZJAKJMJKXLDX-UHFFFAOYSA-N
XLogP3.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-4-propan-2-ylpyridine?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-4-propan-2-ylpyridine (CID 175245407) is 2-(2,5-dimethylpyrrol-1-yl)-4-propan-2-ylpyridine.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)-4-propan-2-ylpyridine?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)-4-propan-2-ylpyridine is Cc1ccc(C)n1-c1cc(C(C)C)ccn1.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)-4-propan-2-ylpyridine?
The InChIKey is ODZJAKJMJKXLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10(2)13-7-8-15-14(9-13)16-11(3)5-6-12(16)4/h5-10H,1-4H3.
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)-4-propan-2-ylpyridine?
2-(2,5-dimethylpyrrol-1-yl)-4-propan-2-ylpyridine has a molecular weight of 214.31 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)-4-propan-2-ylpyridine is sourced from PubChem (CID 175245407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).