8-azaspiro[4.6]undec-3-ene

C10H17N — CID 58595219

IUPAC8-azaspiro[4.6]undec-3-ene
SMILESC1=CC2(CC1)CCCNCC2
InChIInChI=1S/C10H17N/c1-2-5-10(4-1)6-3-8-11-9-7-10/h1,4,11H,2-3,5-9H2
InChIKeyPIWRVVOYVQDNJV-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.10
Rot. Bonds

About 8-azaspiro[4.6]undec-3-ene

8-azaspiro[4.6]undec-3-ene (PubChem CID 58595219) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 8-azaspiro[4.6]undec-3-ene.

Molecular Properties

Compound Name8-azaspiro[4.6]undec-3-ene
PubChem CID58595219
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name8-azaspiro[4.6]undec-3-ene
SMILESC1=CC2(CC1)CCCNCC2
InChIInChI=1S/C10H17N/c1-2-5-10(4-1)6-3-8-11-9-7-10/h1,4,11H,2-3,5-9H2
InChIKeyPIWRVVOYVQDNJV-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 8-azaspiro[4.6]undec-3-ene?
The IUPAC name of 8-azaspiro[4.6]undec-3-ene (CID 58595219) is 8-azaspiro[4.6]undec-3-ene.
What is the SMILES notation for 8-azaspiro[4.6]undec-3-ene?
The canonical SMILES for 8-azaspiro[4.6]undec-3-ene is C1=CC2(CC1)CCCNCC2.
What is the InChIKey of 8-azaspiro[4.6]undec-3-ene?
The InChIKey is PIWRVVOYVQDNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-2-5-10(4-1)6-3-8-11-9-7-10/h1,4,11H,2-3,5-9H2.
What are the key properties of 8-azaspiro[4.6]undec-3-ene?
8-azaspiro[4.6]undec-3-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 8-azaspiro[4.6]undec-3-ene is sourced from PubChem (CID 58595219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).