4-ethenyl-1,2-dimethyl-2H-pyridine

C9H13N — CID 89393501

IUPAC4-ethenyl-1,2-dimethyl-2H-pyridine
SMILESC=CC1=CC(C)N(C)C=C1
InChIInChI=1S/C9H13N/c1-4-9-5-6-10(3)8(2)7-9/h4-8H,1H2,2-3H3
InChIKeyTXXGDTJLVHRWKI-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.95
Rot. Bonds1

About 4-ethenyl-1,2-dimethyl-2H-pyridine

4-ethenyl-1,2-dimethyl-2H-pyridine (PubChem CID 89393501) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 4-ethenyl-1,2-dimethyl-2H-pyridine.

Molecular Properties

Compound Name4-ethenyl-1,2-dimethyl-2H-pyridine
PubChem CID89393501
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name4-ethenyl-1,2-dimethyl-2H-pyridine
SMILESC=CC1=CC(C)N(C)C=C1
InChIInChI=1S/C9H13N/c1-4-9-5-6-10(3)8(2)7-9/h4-8H,1H2,2-3H3
InChIKeyTXXGDTJLVHRWKI-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1,2-dimethyl-2H-pyridine?
The IUPAC name of 4-ethenyl-1,2-dimethyl-2H-pyridine (CID 89393501) is 4-ethenyl-1,2-dimethyl-2H-pyridine.
What is the SMILES notation for 4-ethenyl-1,2-dimethyl-2H-pyridine?
The canonical SMILES for 4-ethenyl-1,2-dimethyl-2H-pyridine is C=CC1=CC(C)N(C)C=C1.
What is the InChIKey of 4-ethenyl-1,2-dimethyl-2H-pyridine?
The InChIKey is TXXGDTJLVHRWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-4-9-5-6-10(3)8(2)7-9/h4-8H,1H2,2-3H3.
What are the key properties of 4-ethenyl-1,2-dimethyl-2H-pyridine?
4-ethenyl-1,2-dimethyl-2H-pyridine has a molecular weight of 135.21 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1,2-dimethyl-2H-pyridine is sourced from PubChem (CID 89393501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).