3-methylidene-2-prop-2-enylidenepyridine

C9H9N — CID 72652539

IUPAC3-methylidene-2-prop-2-enylidenepyridine
SMILESC=CC=c1ncccc1=C
InChIInChI=1S/C9H9N/c1-3-5-9-8(2)6-4-7-10-9/h3-7H,1-2H2
InChIKeyAPWBNGVSIMQKFN-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.46
Rot. Bonds1

About 3-methylidene-2-prop-2-enylidenepyridine

3-methylidene-2-prop-2-enylidenepyridine (PubChem CID 72652539) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 3-methylidene-2-prop-2-enylidenepyridine.

Molecular Properties

Compound Name3-methylidene-2-prop-2-enylidenepyridine
PubChem CID72652539
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name3-methylidene-2-prop-2-enylidenepyridine
SMILESC=CC=c1ncccc1=C
InChIInChI=1S/C9H9N/c1-3-5-9-8(2)6-4-7-10-9/h3-7H,1-2H2
InChIKeyAPWBNGVSIMQKFN-UHFFFAOYSA-N
XLogP0.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2-prop-2-enylidenepyridine?
The IUPAC name of 3-methylidene-2-prop-2-enylidenepyridine (CID 72652539) is 3-methylidene-2-prop-2-enylidenepyridine.
What is the SMILES notation for 3-methylidene-2-prop-2-enylidenepyridine?
The canonical SMILES for 3-methylidene-2-prop-2-enylidenepyridine is C=CC=c1ncccc1=C.
What is the InChIKey of 3-methylidene-2-prop-2-enylidenepyridine?
The InChIKey is APWBNGVSIMQKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-3-5-9-8(2)6-4-7-10-9/h3-7H,1-2H2.
What are the key properties of 3-methylidene-2-prop-2-enylidenepyridine?
3-methylidene-2-prop-2-enylidenepyridine has a molecular weight of 131.18 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2-prop-2-enylidenepyridine is sourced from PubChem (CID 72652539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).