4,5-dimethyl-6-methylidene-3H-pyridine

C8H11N — CID 89005508

IUPAC4,5-dimethyl-6-methylidene-3H-pyridine
SMILESC=C1N=CCC(C)=C1C
InChIInChI=1S/C8H11N/c1-6-4-5-9-8(3)7(6)2/h5H,3-4H2,1-2H3
InChIKeyXRYYTIOMXMMGGL-UHFFFAOYSA-N
MW121.18 g/mol
LogP2.31
Rot. Bonds

About 4,5-dimethyl-6-methylidene-3H-pyridine

4,5-dimethyl-6-methylidene-3H-pyridine (PubChem CID 89005508) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 4,5-dimethyl-6-methylidene-3H-pyridine.

Molecular Properties

Compound Name4,5-dimethyl-6-methylidene-3H-pyridine
PubChem CID89005508
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name4,5-dimethyl-6-methylidene-3H-pyridine
SMILESC=C1N=CCC(C)=C1C
InChIInChI=1S/C8H11N/c1-6-4-5-9-8(3)7(6)2/h5H,3-4H2,1-2H3
InChIKeyXRYYTIOMXMMGGL-UHFFFAOYSA-N
XLogP2.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-methylidene-3H-pyridine?
The IUPAC name of 4,5-dimethyl-6-methylidene-3H-pyridine (CID 89005508) is 4,5-dimethyl-6-methylidene-3H-pyridine.
What is the SMILES notation for 4,5-dimethyl-6-methylidene-3H-pyridine?
The canonical SMILES for 4,5-dimethyl-6-methylidene-3H-pyridine is C=C1N=CCC(C)=C1C.
What is the InChIKey of 4,5-dimethyl-6-methylidene-3H-pyridine?
The InChIKey is XRYYTIOMXMMGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-6-4-5-9-8(3)7(6)2/h5H,3-4H2,1-2H3.
What are the key properties of 4,5-dimethyl-6-methylidene-3H-pyridine?
4,5-dimethyl-6-methylidene-3H-pyridine has a molecular weight of 121.18 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-methylidene-3H-pyridine is sourced from PubChem (CID 89005508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).