3-azaspiro[5.5]undec-10-ene

C10H17N — CID 20521852

IUPAC3-azaspiro[5.5]undec-10-ene
SMILESC1=CC2(CCC1)CCNCC2
InChIInChI=1S/C10H17N/c1-2-4-10(5-3-1)6-8-11-9-7-10/h2,4,11H,1,3,5-9H2
InChIKeyIGUIFLNSHLPDQI-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.10
Rot. Bonds

About 3-azaspiro[5.5]undec-10-ene

3-azaspiro[5.5]undec-10-ene (PubChem CID 20521852) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-azaspiro[5.5]undec-10-ene.

Molecular Properties

Compound Name3-azaspiro[5.5]undec-10-ene
PubChem CID20521852
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3-azaspiro[5.5]undec-10-ene
SMILESC1=CC2(CCC1)CCNCC2
InChIInChI=1S/C10H17N/c1-2-4-10(5-3-1)6-8-11-9-7-10/h2,4,11H,1,3,5-9H2
InChIKeyIGUIFLNSHLPDQI-UHFFFAOYSA-N
XLogP2.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-azaspiro[5.5]undec-10-ene?
The IUPAC name of 3-azaspiro[5.5]undec-10-ene (CID 20521852) is 3-azaspiro[5.5]undec-10-ene.
What is the SMILES notation for 3-azaspiro[5.5]undec-10-ene?
The canonical SMILES for 3-azaspiro[5.5]undec-10-ene is C1=CC2(CCC1)CCNCC2.
What is the InChIKey of 3-azaspiro[5.5]undec-10-ene?
The InChIKey is IGUIFLNSHLPDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-2-4-10(5-3-1)6-8-11-9-7-10/h2,4,11H,1,3,5-9H2.
What are the key properties of 3-azaspiro[5.5]undec-10-ene?
3-azaspiro[5.5]undec-10-ene has a molecular weight of 151.25 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaspiro[5.5]undec-10-ene is sourced from PubChem (CID 20521852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).