5-(5-ethenyl-4-methyl-3H-pyrrol-2-yl)-2-ethyl-1-methyl-2H-pyridine

C15H20N2 — CID 131968249

IUPAC5-(5-ethenyl-4-methyl-3H-pyrrol-2-yl)-2-ethyl-1-methyl-2H-pyridine
SMILESC=CC1=C(C)CC(C2=CN(C)C(CC)C=C2)=N1
InChIInChI=1S/C15H20N2/c1-5-13-8-7-12(10-17(13)4)15-9-11(3)14(6-2)16-15/h6-8,10,13H,2,5,9H2,1,3-4H3
InChIKeyPVMDERAWBUHZON-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.46
Rot. Bonds3

About 5-(5-ethenyl-4-methyl-3H-pyrrol-2-yl)-2-ethyl-1-methyl-2H-pyridine

5-(5-ethenyl-4-methyl-3H-pyrrol-2-yl)-2-ethyl-1-methyl-2H-pyridine (PubChem CID 131968249) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-(5-ethenyl-4-methyl-3H-pyrrol-2-yl)-2-ethyl-1-methyl-2H-pyridine.

Molecular Properties

Compound Name5-(5-ethenyl-4-methyl-3H-pyrrol-2-yl)-2-ethyl-1-methyl-2H-pyridine
PubChem CID131968249
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name5-(5-ethenyl-4-methyl-3H-pyrrol-2-yl)-2-ethyl-1-methyl-2H-pyridine
SMILESC=CC1=C(C)CC(C2=CN(C)C(CC)C=C2)=N1
InChIInChI=1S/C15H20N2/c1-5-13-8-7-12(10-17(13)4)15-9-11(3)14(6-2)16-15/h6-8,10,13H,2,5,9H2,1,3-4H3
InChIKeyPVMDERAWBUHZON-UHFFFAOYSA-N
XLogP3.46
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethenyl-4-methyl-3H-pyrrol-2-yl)-2-ethyl-1-methyl-2H-pyridine?
The IUPAC name of 5-(5-ethenyl-4-methyl-3H-pyrrol-2-yl)-2-ethyl-1-methyl-2H-pyridine (CID 131968249) is 5-(5-ethenyl-4-methyl-3H-pyrrol-2-yl)-2-ethyl-1-methyl-2H-pyridine.
What is the SMILES notation for 5-(5-ethenyl-4-methyl-3H-pyrrol-2-yl)-2-ethyl-1-methyl-2H-pyridine?
The canonical SMILES for 5-(5-ethenyl-4-methyl-3H-pyrrol-2-yl)-2-ethyl-1-methyl-2H-pyridine is C=CC1=C(C)CC(C2=CN(C)C(CC)C=C2)=N1.
What is the InChIKey of 5-(5-ethenyl-4-methyl-3H-pyrrol-2-yl)-2-ethyl-1-methyl-2H-pyridine?
The InChIKey is PVMDERAWBUHZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-5-13-8-7-12(10-17(13)4)15-9-11(3)14(6-2)16-15/h6-8,10,13H,2,5,9H2,1,3-4H3.
What are the key properties of 5-(5-ethenyl-4-methyl-3H-pyrrol-2-yl)-2-ethyl-1-methyl-2H-pyridine?
5-(5-ethenyl-4-methyl-3H-pyrrol-2-yl)-2-ethyl-1-methyl-2H-pyridine has a molecular weight of 228.34 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethenyl-4-methyl-3H-pyrrol-2-yl)-2-ethyl-1-methyl-2H-pyridine is sourced from PubChem (CID 131968249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).