(3E)-2,6-dimethyl-4-methylidene-3-prop-2-enylidenepyridine

C11H13N — CID 145283545

IUPAC(3E)-2,6-dimethyl-4-methylidene-3-prop-2-enylidenepyridine
SMILESC=C/C=c1/c(C)nc(C)cc1=C
InChIInChI=1S/C11H13N/c1-5-6-11-8(2)7-9(3)12-10(11)4/h5-7H,1-2H2,3-4H3/b11-6+
InChIKeyIKUFRUZCZPVEHB-IZZDOVSWSA-N
MW159.23 g/mol
LogP1.08
Rot. Bonds1

About (3E)-2,6-dimethyl-4-methylidene-3-prop-2-enylidenepyridine

(3E)-2,6-dimethyl-4-methylidene-3-prop-2-enylidenepyridine (PubChem CID 145283545) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is (3E)-2,6-dimethyl-4-methylidene-3-prop-2-enylidenepyridine.

Molecular Properties

Compound Name(3E)-2,6-dimethyl-4-methylidene-3-prop-2-enylidenepyridine
PubChem CID145283545
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name(3E)-2,6-dimethyl-4-methylidene-3-prop-2-enylidenepyridine
SMILESC=C/C=c1/c(C)nc(C)cc1=C
InChIInChI=1S/C11H13N/c1-5-6-11-8(2)7-9(3)12-10(11)4/h5-7H,1-2H2,3-4H3/b11-6+
InChIKeyIKUFRUZCZPVEHB-IZZDOVSWSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3E)-2,6-dimethyl-4-methylidene-3-prop-2-enylidenepyridine?
The IUPAC name of (3E)-2,6-dimethyl-4-methylidene-3-prop-2-enylidenepyridine (CID 145283545) is (3E)-2,6-dimethyl-4-methylidene-3-prop-2-enylidenepyridine.
What is the SMILES notation for (3E)-2,6-dimethyl-4-methylidene-3-prop-2-enylidenepyridine?
The canonical SMILES for (3E)-2,6-dimethyl-4-methylidene-3-prop-2-enylidenepyridine is C=C/C=c1/c(C)nc(C)cc1=C.
What is the InChIKey of (3E)-2,6-dimethyl-4-methylidene-3-prop-2-enylidenepyridine?
The InChIKey is IKUFRUZCZPVEHB-IZZDOVSWSA-N. The full InChI is InChI=1S/C11H13N/c1-5-6-11-8(2)7-9(3)12-10(11)4/h5-7H,1-2H2,3-4H3/b11-6+.
What are the key properties of (3E)-2,6-dimethyl-4-methylidene-3-prop-2-enylidenepyridine?
(3E)-2,6-dimethyl-4-methylidene-3-prop-2-enylidenepyridine has a molecular weight of 159.23 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2,6-dimethyl-4-methylidene-3-prop-2-enylidenepyridine is sourced from PubChem (CID 145283545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).