(4E)-4-but-3-en-2-ylidene-3-methyl-5-methylidenepyridine

C11H13N — CID 139435824

IUPAC(4E)-4-but-3-en-2-ylidene-3-methyl-5-methylidenepyridine
SMILESC=C/C(C)=c1\c(C)cncc1=C
InChIInChI=1S/C11H13N/c1-5-8(2)11-9(3)6-12-7-10(11)4/h5-7H,1,3H2,2,4H3/b11-8-
InChIKeyWTIURQPRKUFZDT-FLIBITNWSA-N
MW159.23 g/mol
LogP1.16
Rot. Bonds1

About (4E)-4-but-3-en-2-ylidene-3-methyl-5-methylidenepyridine

(4E)-4-but-3-en-2-ylidene-3-methyl-5-methylidenepyridine (PubChem CID 139435824) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is (4E)-4-but-3-en-2-ylidene-3-methyl-5-methylidenepyridine.

Molecular Properties

Compound Name(4E)-4-but-3-en-2-ylidene-3-methyl-5-methylidenepyridine
PubChem CID139435824
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name(4E)-4-but-3-en-2-ylidene-3-methyl-5-methylidenepyridine
SMILESC=C/C(C)=c1\c(C)cncc1=C
InChIInChI=1S/C11H13N/c1-5-8(2)11-9(3)6-12-7-10(11)4/h5-7H,1,3H2,2,4H3/b11-8-
InChIKeyWTIURQPRKUFZDT-FLIBITNWSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-but-3-en-2-ylidene-3-methyl-5-methylidenepyridine?
The IUPAC name of (4E)-4-but-3-en-2-ylidene-3-methyl-5-methylidenepyridine (CID 139435824) is (4E)-4-but-3-en-2-ylidene-3-methyl-5-methylidenepyridine.
What is the SMILES notation for (4E)-4-but-3-en-2-ylidene-3-methyl-5-methylidenepyridine?
The canonical SMILES for (4E)-4-but-3-en-2-ylidene-3-methyl-5-methylidenepyridine is C=C/C(C)=c1\c(C)cncc1=C.
What is the InChIKey of (4E)-4-but-3-en-2-ylidene-3-methyl-5-methylidenepyridine?
The InChIKey is WTIURQPRKUFZDT-FLIBITNWSA-N. The full InChI is InChI=1S/C11H13N/c1-5-8(2)11-9(3)6-12-7-10(11)4/h5-7H,1,3H2,2,4H3/b11-8-.
What are the key properties of (4E)-4-but-3-en-2-ylidene-3-methyl-5-methylidenepyridine?
(4E)-4-but-3-en-2-ylidene-3-methyl-5-methylidenepyridine has a molecular weight of 159.23 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-but-3-en-2-ylidene-3-methyl-5-methylidenepyridine is sourced from PubChem (CID 139435824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).