7-azaspiro[4.6]undec-9-ene;hydrochloride

C10H18ClN — CID 138006721

IUPAC7-azaspiro[4.6]undec-9-ene;hydrochloride
SMILESC1=CCC2(CCCC2)CNC1.Cl
InChIInChI=1S/C10H17N.ClH/c1-2-6-10(5-1)7-3-4-8-11-9-10;/h3-4,11H,1-2,5-9H2;1H
InChIKeyHDNYALYPTBBXGY-UHFFFAOYSA-N
MW187.71 g/mol
LogP2.52
Rot. Bonds

About 7-azaspiro[4.6]undec-9-ene;hydrochloride

7-azaspiro[4.6]undec-9-ene;hydrochloride (PubChem CID 138006721) has the molecular formula C10H18ClN and a molecular weight of 187.71 g/mol. Its IUPAC name is 7-azaspiro[4.6]undec-9-ene;hydrochloride.

Molecular Properties

Compound Name7-azaspiro[4.6]undec-9-ene;hydrochloride
PubChem CID138006721
Molecular FormulaC10H18ClN
Molecular Weight187.71 g/mol
Exact Mass187.11
IUPAC Name7-azaspiro[4.6]undec-9-ene;hydrochloride
SMILESC1=CCC2(CCCC2)CNC1.Cl
InChIInChI=1S/C10H17N.ClH/c1-2-6-10(5-1)7-3-4-8-11-9-10;/h3-4,11H,1-2,5-9H2;1H
InChIKeyHDNYALYPTBBXGY-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.71
LogP ≤ 52.52
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 7-azaspiro[4.6]undec-9-ene;hydrochloride?
The IUPAC name of 7-azaspiro[4.6]undec-9-ene;hydrochloride (CID 138006721) is 7-azaspiro[4.6]undec-9-ene;hydrochloride.
What is the SMILES notation for 7-azaspiro[4.6]undec-9-ene;hydrochloride?
The canonical SMILES for 7-azaspiro[4.6]undec-9-ene;hydrochloride is C1=CCC2(CCCC2)CNC1.Cl.
What is the InChIKey of 7-azaspiro[4.6]undec-9-ene;hydrochloride?
The InChIKey is HDNYALYPTBBXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.ClH/c1-2-6-10(5-1)7-3-4-8-11-9-10;/h3-4,11H,1-2,5-9H2;1H.
What are the key properties of 7-azaspiro[4.6]undec-9-ene;hydrochloride?
7-azaspiro[4.6]undec-9-ene;hydrochloride has a molecular weight of 187.71 g/mol, XLogP of 2.52, 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-9-ene;hydrochloride is sourced from PubChem (CID 138006721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).