1-ethenyl-3,5-dimethyl-2H-pyridine

C9H13N — CID 23183597

IUPAC1-ethenyl-3,5-dimethyl-2H-pyridine
SMILESC=CN1C=C(C)C=C(C)C1
InChIInChI=1S/C9H13N/c1-4-10-6-8(2)5-9(3)7-10/h4-6H,1,7H2,2-3H3
InChIKeyZXAVGZOTHLQWCT-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.30
Rot. Bonds1

About 1-ethenyl-3,5-dimethyl-2H-pyridine

1-ethenyl-3,5-dimethyl-2H-pyridine (PubChem CID 23183597) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 1-ethenyl-3,5-dimethyl-2H-pyridine.

Molecular Properties

Compound Name1-ethenyl-3,5-dimethyl-2H-pyridine
PubChem CID23183597
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name1-ethenyl-3,5-dimethyl-2H-pyridine
SMILESC=CN1C=C(C)C=C(C)C1
InChIInChI=1S/C9H13N/c1-4-10-6-8(2)5-9(3)7-10/h4-6H,1,7H2,2-3H3
InChIKeyZXAVGZOTHLQWCT-UHFFFAOYSA-N
XLogP2.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3,5-dimethyl-2H-pyridine?
The IUPAC name of 1-ethenyl-3,5-dimethyl-2H-pyridine (CID 23183597) is 1-ethenyl-3,5-dimethyl-2H-pyridine.
What is the SMILES notation for 1-ethenyl-3,5-dimethyl-2H-pyridine?
The canonical SMILES for 1-ethenyl-3,5-dimethyl-2H-pyridine is C=CN1C=C(C)C=C(C)C1.
What is the InChIKey of 1-ethenyl-3,5-dimethyl-2H-pyridine?
The InChIKey is ZXAVGZOTHLQWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-4-10-6-8(2)5-9(3)7-10/h4-6H,1,7H2,2-3H3.
What are the key properties of 1-ethenyl-3,5-dimethyl-2H-pyridine?
1-ethenyl-3,5-dimethyl-2H-pyridine has a molecular weight of 135.21 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3,5-dimethyl-2H-pyridine is sourced from PubChem (CID 23183597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).