About (4Z)-4-(3-methylbut-2-enylidene)-3-methylidenepiperidine
(4Z)-4-(3-methylbut-2-enylidene)-3-methylidenepiperidine (PubChem CID 89017735) has the molecular formula C11H17N
and a molecular weight of 163.26 g/mol. Its IUPAC name is (4Z)-4-(3-methylbut-2-enylidene)-3-methylidenepiperidine.
Molecular Properties
| Compound Name | (4Z)-4-(3-methylbut-2-enylidene)-3-methylidenepiperidine |
| PubChem CID | 89017735 |
| Molecular Formula | C11H17N |
| Molecular Weight | 163.26 g/mol |
| Exact Mass | 163.14 |
| IUPAC Name | (4Z)-4-(3-methylbut-2-enylidene)-3-methylidenepiperidine |
| SMILES | C=C1CNCC/C1=C/C=C(C)C |
| InChI | InChI=1S/C11H17N/c1-9(2)4-5-11-6-7-12-8-10(11)3/h4-5,12H,3,6-8H2,1-2H3/b11-5- |
| InChIKey | OEHHQELBSSRGME-WZUFQYTHSA-N |
| XLogP | 2.43 |
| TPSA | 12.03 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 12 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 163.26 |
| LogP ≤ 5 | 2.43 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of (4Z)-4-(3-methylbut-2-enylidene)-3-methylidenepiperidine?
The IUPAC name of (4Z)-4-(3-methylbut-2-enylidene)-3-methylidenepiperidine (CID 89017735) is (4Z)-4-(3-methylbut-2-enylidene)-3-methylidenepiperidine.
What is the SMILES notation for (4Z)-4-(3-methylbut-2-enylidene)-3-methylidenepiperidine?
The canonical SMILES for (4Z)-4-(3-methylbut-2-enylidene)-3-methylidenepiperidine is C=C1CNCC/C1=C/C=C(C)C.
What is the InChIKey of (4Z)-4-(3-methylbut-2-enylidene)-3-methylidenepiperidine?
The InChIKey is OEHHQELBSSRGME-WZUFQYTHSA-N. The full InChI is InChI=1S/C11H17N/c1-9(2)4-5-11-6-7-12-8-10(11)3/h4-5,12H,3,6-8H2,1-2H3/b11-5-.
What are the key properties of (4Z)-4-(3-methylbut-2-enylidene)-3-methylidenepiperidine?
(4Z)-4-(3-methylbut-2-enylidene)-3-methylidenepiperidine has a molecular weight of 163.26 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(3-methylbut-2-enylidene)-3-methylidenepiperidine is sourced from PubChem (CID 89017735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).