5-azaspiro[2.3]hexan-2-yl(pyrazolidin-1-yl)methanone;hydrochloride

C9H16ClN3O — CID 130645836

IUPAC5-azaspiro[2.3]hexan-2-yl(pyrazolidin-1-yl)methanone;hydrochloride
SMILESCl.O=C(C1CC12CNC2)N1CCCN1
InChIInChI=1S/C9H15N3O.ClH/c13-8(12-3-1-2-11-12)7-4-9(7)5-10-6-9;/h7,10-11H,1-6H2;1H
InChIKeyWSSSINUNGBVNDW-UHFFFAOYSA-N
MW217.70 g/mol
LogP-0.25
Rot. Bonds1

About 5-azaspiro[2.3]hexan-2-yl(pyrazolidin-1-yl)methanone;hydrochloride

5-azaspiro[2.3]hexan-2-yl(pyrazolidin-1-yl)methanone;hydrochloride (PubChem CID 130645836) has the molecular formula C9H16ClN3O and a molecular weight of 217.70 g/mol. Its IUPAC name is 5-azaspiro[2.3]hexan-2-yl(pyrazolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name5-azaspiro[2.3]hexan-2-yl(pyrazolidin-1-yl)methanone;hydrochloride
PubChem CID130645836
Molecular FormulaC9H16ClN3O
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC Name5-azaspiro[2.3]hexan-2-yl(pyrazolidin-1-yl)methanone;hydrochloride
SMILESCl.O=C(C1CC12CNC2)N1CCCN1
InChIInChI=1S/C9H15N3O.ClH/c13-8(12-3-1-2-11-12)7-4-9(7)5-10-6-9;/h7,10-11H,1-6H2;1H
InChIKeyWSSSINUNGBVNDW-UHFFFAOYSA-N
XLogP-0.25
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-azaspiro[2.3]hexan-2-yl(pyrazolidin-1-yl)methanone;hydrochloride?
The IUPAC name of 5-azaspiro[2.3]hexan-2-yl(pyrazolidin-1-yl)methanone;hydrochloride (CID 130645836) is 5-azaspiro[2.3]hexan-2-yl(pyrazolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for 5-azaspiro[2.3]hexan-2-yl(pyrazolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for 5-azaspiro[2.3]hexan-2-yl(pyrazolidin-1-yl)methanone;hydrochloride is Cl.O=C(C1CC12CNC2)N1CCCN1.
What is the InChIKey of 5-azaspiro[2.3]hexan-2-yl(pyrazolidin-1-yl)methanone;hydrochloride?
The InChIKey is WSSSINUNGBVNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.ClH/c13-8(12-3-1-2-11-12)7-4-9(7)5-10-6-9;/h7,10-11H,1-6H2;1H.
What are the key properties of 5-azaspiro[2.3]hexan-2-yl(pyrazolidin-1-yl)methanone;hydrochloride?
5-azaspiro[2.3]hexan-2-yl(pyrazolidin-1-yl)methanone;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azaspiro[2.3]hexan-2-yl(pyrazolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 130645836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).