2-methyl-4-prop-1-en-2-ylpyridine

C9H11N — CID 529347

IUPAC2-methyl-4-prop-1-en-2-ylpyridine
SMILESC=C(C)c1ccnc(C)c1
InChIInChI=1S/C9H11N/c1-7(2)9-4-5-10-8(3)6-9/h4-6H,1H2,2-3H3
InChIKeyCXGHVELUDDLRAP-UHFFFAOYSA-N
MW133.19 g/mol
LogP2.42
Rot. Bonds1

About 2-methyl-4-prop-1-en-2-ylpyridine

2-methyl-4-prop-1-en-2-ylpyridine (PubChem CID 529347) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 2-methyl-4-prop-1-en-2-ylpyridine.

Molecular Properties

Compound Name2-methyl-4-prop-1-en-2-ylpyridine
PubChem CID529347
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name2-methyl-4-prop-1-en-2-ylpyridine
SMILESC=C(C)c1ccnc(C)c1
InChIInChI=1S/C9H11N/c1-7(2)9-4-5-10-8(3)6-9/h4-6H,1H2,2-3H3
InChIKeyCXGHVELUDDLRAP-UHFFFAOYSA-N
XLogP2.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-prop-1-en-2-ylpyridine?
The IUPAC name of 2-methyl-4-prop-1-en-2-ylpyridine (CID 529347) is 2-methyl-4-prop-1-en-2-ylpyridine.
What is the SMILES notation for 2-methyl-4-prop-1-en-2-ylpyridine?
The canonical SMILES for 2-methyl-4-prop-1-en-2-ylpyridine is C=C(C)c1ccnc(C)c1.
What is the InChIKey of 2-methyl-4-prop-1-en-2-ylpyridine?
The InChIKey is CXGHVELUDDLRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-7(2)9-4-5-10-8(3)6-9/h4-6H,1H2,2-3H3.
What are the key properties of 2-methyl-4-prop-1-en-2-ylpyridine?
2-methyl-4-prop-1-en-2-ylpyridine has a molecular weight of 133.19 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-prop-1-en-2-ylpyridine is sourced from PubChem (CID 529347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).