3-methylidene-2-pent-3-en-2-ylidenepyridine

C11H13N — CID 123516293

IUPAC3-methylidene-2-pent-3-en-2-ylidenepyridine
SMILESC=c1cccnc1=C(C)C=CC
InChIInChI=1S/C11H13N/c1-4-6-9(2)11-10(3)7-5-8-12-11/h4-8H,3H2,1-2H3
InChIKeyUPPGNSAPBFMCME-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.24
Rot. Bonds1

About 3-methylidene-2-pent-3-en-2-ylidenepyridine

3-methylidene-2-pent-3-en-2-ylidenepyridine (PubChem CID 123516293) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-methylidene-2-pent-3-en-2-ylidenepyridine.

Molecular Properties

Compound Name3-methylidene-2-pent-3-en-2-ylidenepyridine
PubChem CID123516293
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name3-methylidene-2-pent-3-en-2-ylidenepyridine
SMILESC=c1cccnc1=C(C)C=CC
InChIInChI=1S/C11H13N/c1-4-6-9(2)11-10(3)7-5-8-12-11/h4-8H,3H2,1-2H3
InChIKeyUPPGNSAPBFMCME-UHFFFAOYSA-N
XLogP1.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2-pent-3-en-2-ylidenepyridine?
The IUPAC name of 3-methylidene-2-pent-3-en-2-ylidenepyridine (CID 123516293) is 3-methylidene-2-pent-3-en-2-ylidenepyridine.
What is the SMILES notation for 3-methylidene-2-pent-3-en-2-ylidenepyridine?
The canonical SMILES for 3-methylidene-2-pent-3-en-2-ylidenepyridine is C=c1cccnc1=C(C)C=CC.
What is the InChIKey of 3-methylidene-2-pent-3-en-2-ylidenepyridine?
The InChIKey is UPPGNSAPBFMCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-4-6-9(2)11-10(3)7-5-8-12-11/h4-8H,3H2,1-2H3.
What are the key properties of 3-methylidene-2-pent-3-en-2-ylidenepyridine?
3-methylidene-2-pent-3-en-2-ylidenepyridine has a molecular weight of 159.23 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2-pent-3-en-2-ylidenepyridine is sourced from PubChem (CID 123516293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).