2-butan-2-ylidene-3-but-2-enylidenepyridine

C13H17N — CID 123620479

IUPAC2-butan-2-ylidene-3-but-2-enylidenepyridine
SMILESCC=CC=c1cccnc1=C(C)CC
InChIInChI=1S/C13H17N/c1-4-6-8-12-9-7-10-14-13(12)11(3)5-2/h4,6-10H,5H2,1-3H3
InChIKeyQGIOYIKEGLBHCB-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.02
Rot. Bonds2

About 2-butan-2-ylidene-3-but-2-enylidenepyridine

2-butan-2-ylidene-3-but-2-enylidenepyridine (PubChem CID 123620479) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-butan-2-ylidene-3-but-2-enylidenepyridine.

Molecular Properties

Compound Name2-butan-2-ylidene-3-but-2-enylidenepyridine
PubChem CID123620479
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2-butan-2-ylidene-3-but-2-enylidenepyridine
SMILESCC=CC=c1cccnc1=C(C)CC
InChIInChI=1S/C13H17N/c1-4-6-8-12-9-7-10-14-13(12)11(3)5-2/h4,6-10H,5H2,1-3H3
InChIKeyQGIOYIKEGLBHCB-UHFFFAOYSA-N
XLogP2.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylidene-3-but-2-enylidenepyridine?
The IUPAC name of 2-butan-2-ylidene-3-but-2-enylidenepyridine (CID 123620479) is 2-butan-2-ylidene-3-but-2-enylidenepyridine.
What is the SMILES notation for 2-butan-2-ylidene-3-but-2-enylidenepyridine?
The canonical SMILES for 2-butan-2-ylidene-3-but-2-enylidenepyridine is CC=CC=c1cccnc1=C(C)CC.
What is the InChIKey of 2-butan-2-ylidene-3-but-2-enylidenepyridine?
The InChIKey is QGIOYIKEGLBHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-4-6-8-12-9-7-10-14-13(12)11(3)5-2/h4,6-10H,5H2,1-3H3.
What are the key properties of 2-butan-2-ylidene-3-but-2-enylidenepyridine?
2-butan-2-ylidene-3-but-2-enylidenepyridine has a molecular weight of 187.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylidene-3-but-2-enylidenepyridine is sourced from PubChem (CID 123620479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).