(6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine

C10H13N — CID 143256802

IUPAC(6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine
SMILESC=C(C)/C=C1/N=CCCC1=C
InChIInChI=1S/C10H13N/c1-8(2)7-10-9(3)5-4-6-11-10/h6-7H,1,3-5H2,2H3/b10-7+
InChIKeyUBGVGFQQGFLLMI-JXMROGBWSA-N
MW147.22 g/mol
LogP2.87
Rot. Bonds1

About (6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine

(6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine (PubChem CID 143256802) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is (6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine.

Molecular Properties

Compound Name(6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine
PubChem CID143256802
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name(6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine
SMILESC=C(C)/C=C1/N=CCCC1=C
InChIInChI=1S/C10H13N/c1-8(2)7-10-9(3)5-4-6-11-10/h6-7H,1,3-5H2,2H3/b10-7+
InChIKeyUBGVGFQQGFLLMI-JXMROGBWSA-N
XLogP2.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine?
The IUPAC name of (6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine (CID 143256802) is (6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine.
What is the SMILES notation for (6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine?
The canonical SMILES for (6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine is C=C(C)/C=C1/N=CCCC1=C.
What is the InChIKey of (6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine?
The InChIKey is UBGVGFQQGFLLMI-JXMROGBWSA-N. The full InChI is InChI=1S/C10H13N/c1-8(2)7-10-9(3)5-4-6-11-10/h6-7H,1,3-5H2,2H3/b10-7+.
What are the key properties of (6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine?
(6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine has a molecular weight of 147.22 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine is sourced from PubChem (CID 143256802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).