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

C15H27N — CID 143256636

IUPACethane;(6E)-2-methyl-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine
SMILESC=C(C)/C=C1/N=C(C)CCC1=C.CC.CC
InChIInChI=1S/C11H15N.2C2H6/c1-8(2)7-11-9(3)5-6-10(4)12-11;2*1-2/h7H,1,3,5-6H2,2,4H3;2*1-2H3/b11-7+;;
InChIKeyKBXRQHOINDJJHP-FCVAESPPSA-N
MW221.39 g/mol
LogP5.31
Rot. Bonds1

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

ethane;(6E)-2-methyl-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine (PubChem CID 143256636) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is ethane;(6E)-2-methyl-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine.

Molecular Properties

Compound Nameethane;(6E)-2-methyl-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine
PubChem CID143256636
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Nameethane;(6E)-2-methyl-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine
SMILESC=C(C)/C=C1/N=C(C)CCC1=C.CC.CC
InChIInChI=1S/C11H15N.2C2H6/c1-8(2)7-11-9(3)5-6-10(4)12-11;2*1-2/h7H,1,3,5-6H2,2,4H3;2*1-2H3/b11-7+;;
InChIKeyKBXRQHOINDJJHP-FCVAESPPSA-N
XLogP5.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500221.39
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;(6E)-2-methyl-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine?
The IUPAC name of ethane;(6E)-2-methyl-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine (CID 143256636) is ethane;(6E)-2-methyl-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine.
What is the SMILES notation for ethane;(6E)-2-methyl-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine?
The canonical SMILES for ethane;(6E)-2-methyl-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine is C=C(C)/C=C1/N=C(C)CCC1=C.CC.CC.
What is the InChIKey of ethane;(6E)-2-methyl-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine?
The InChIKey is KBXRQHOINDJJHP-FCVAESPPSA-N. The full InChI is InChI=1S/C11H15N.2C2H6/c1-8(2)7-11-9(3)5-6-10(4)12-11;2*1-2/h7H,1,3,5-6H2,2,4H3;2*1-2H3/b11-7+;;.
What are the key properties of ethane;(6E)-2-methyl-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine?
ethane;(6E)-2-methyl-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine has a molecular weight of 221.39 g/mol, XLogP of 5.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(6E)-2-methyl-5-methylidene-6-(2-methylprop-2-enylidene)-3,4-dihydropyridine is sourced from PubChem (CID 143256636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).