About 2,9-diazaspiro[5.5]undec-3-ene
2,9-diazaspiro[5.5]undec-3-ene (PubChem CID 23135192) has the molecular formula C9H16N2
and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,9-diazaspiro[5.5]undec-3-ene.
Molecular Properties
| Compound Name | 2,9-diazaspiro[5.5]undec-3-ene |
|---|
| PubChem CID | 23135192 |
|---|
| Molecular Formula | C9H16N2 |
|---|
| Molecular Weight | 152.24 g/mol |
|---|
| Exact Mass | 152.13 |
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| IUPAC Name | 2,9-diazaspiro[5.5]undec-3-ene |
|---|
| SMILES | C1=CNCC2(C1)CCNCC2 |
|---|
| InChI | InChI=1S/C9H16N2/c1-2-9(8-11-5-1)3-6-10-7-4-9/h1,5,10-11H,2-4,6-8H2 |
|---|
| InChIKey | ILAWHDNQWQFYMF-UHFFFAOYSA-N |
|---|
| XLogP | 0.86 |
|---|
| TPSA | 24.06 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 11 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 152.24 |
| LogP ≤ 5 | 0.86 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2,9-diazaspiro[5.5]undec-3-ene?
The IUPAC name of 2,9-diazaspiro[5.5]undec-3-ene (CID 23135192) is 2,9-diazaspiro[5.5]undec-3-ene.
What is the SMILES notation for 2,9-diazaspiro[5.5]undec-3-ene?
The canonical SMILES for 2,9-diazaspiro[5.5]undec-3-ene is C1=CNCC2(C1)CCNCC2.
What is the InChIKey of 2,9-diazaspiro[5.5]undec-3-ene?
The InChIKey is ILAWHDNQWQFYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-9(8-11-5-1)3-6-10-7-4-9/h1,5,10-11H,2-4,6-8H2.
What are the key properties of 2,9-diazaspiro[5.5]undec-3-ene?
2,9-diazaspiro[5.5]undec-3-ene has a molecular weight of 152.24 g/mol, XLogP of 0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diazaspiro[5.5]undec-3-ene is sourced from PubChem (CID 23135192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).