7-azaspiro[4.6]undec-3-ene

C10H17N — CID 58595216

IUPAC7-azaspiro[4.6]undec-3-ene
SMILESC1=CC2(CC1)CCCCNC2
InChIInChI=1S/C10H17N/c1-2-6-10(5-1)7-3-4-8-11-9-10/h1,5,11H,2-4,6-9H2
InChIKeyOHBVHVCJWXYWHQ-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.10
Rot. Bonds

About 7-azaspiro[4.6]undec-3-ene

7-azaspiro[4.6]undec-3-ene (PubChem CID 58595216) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 7-azaspiro[4.6]undec-3-ene.

Molecular Properties

Compound Name7-azaspiro[4.6]undec-3-ene
PubChem CID58595216
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name7-azaspiro[4.6]undec-3-ene
SMILESC1=CC2(CC1)CCCCNC2
InChIInChI=1S/C10H17N/c1-2-6-10(5-1)7-3-4-8-11-9-10/h1,5,11H,2-4,6-9H2
InChIKeyOHBVHVCJWXYWHQ-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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Related Compounds

7-Azaspiro(4.6)undec-9-ene hydrochloride
CID 138006721
2-Azaspiro[4.6]undec-7-ene
CID 123800663
7-Azaspiro[4.6]undec-9-ene
CID 138006722
2-Azaspiro-[5.5]-undec-7-ene
CID 20403147
7-Azaspiro[4.5]dec-3-ene
CID 22000189
2,9-Diazaspiro[6.6]tridec-4-ene
CID 23135270
7-Azaspiro[4.6]undeca-3,9-diene
CID 23598603
8-Azaspiro[5.6]dodeca-4,10-diene
CID 23598605
2-Azaspiro[4.5]dec-6-ene
CID 54062195
2,9-Diazaspiro[6.6]tridec-5-ene
CID 57439954
3-Azabicyclo[4.2.1]non-7-ene
CID 57642302
9,9-Di(propan-2-yl)-3-azabicyclo[3.3.2]dec-6-ene
CID 58353530

Frequently Asked Questions

What is the IUPAC name of 7-azaspiro[4.6]undec-3-ene?
The IUPAC name of 7-azaspiro[4.6]undec-3-ene (CID 58595216) is 7-azaspiro[4.6]undec-3-ene.
What is the SMILES notation for 7-azaspiro[4.6]undec-3-ene?
The canonical SMILES for 7-azaspiro[4.6]undec-3-ene is C1=CC2(CC1)CCCCNC2.
What is the InChIKey of 7-azaspiro[4.6]undec-3-ene?
The InChIKey is OHBVHVCJWXYWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-2-6-10(5-1)7-3-4-8-11-9-10/h1,5,11H,2-4,6-9H2.
What are the key properties of 7-azaspiro[4.6]undec-3-ene?
7-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 7-azaspiro[4.6]undec-3-ene is sourced from PubChem (CID 58595216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).