2-(1H-pyrazol-4-yl)-2-azaspiro[4.4]nonane-1,3-dione;hydrochloride

C11H14ClN3O2 — CID 47002477

IUPAC2-(1H-pyrazol-4-yl)-2-azaspiro[4.4]nonane-1,3-dione;hydrochloride
SMILESCl.O=C1CC2(CCCC2)C(=O)N1c1cn[nH]c1
InChIInChI=1S/C11H13N3O2.ClH/c15-9-5-11(3-1-2-4-11)10(16)14(9)8-6-12-13-7-8;/h6-7H,1-5H2,(H,12,13);1H
InChIKeyDJIVBBMMCFSYCL-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.66
Rot. Bonds1

About 2-(1H-pyrazol-4-yl)-2-azaspiro[4.4]nonane-1,3-dione;hydrochloride

2-(1H-pyrazol-4-yl)-2-azaspiro[4.4]nonane-1,3-dione;hydrochloride (PubChem CID 47002477) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-yl)-2-azaspiro[4.4]nonane-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-(1H-pyrazol-4-yl)-2-azaspiro[4.4]nonane-1,3-dione;hydrochloride
PubChem CID47002477
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name2-(1H-pyrazol-4-yl)-2-azaspiro[4.4]nonane-1,3-dione;hydrochloride
SMILESCl.O=C1CC2(CCCC2)C(=O)N1c1cn[nH]c1
InChIInChI=1S/C11H13N3O2.ClH/c15-9-5-11(3-1-2-4-11)10(16)14(9)8-6-12-13-7-8;/h6-7H,1-5H2,(H,12,13);1H
InChIKeyDJIVBBMMCFSYCL-UHFFFAOYSA-N
XLogP1.66
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-4-yl)-2-azaspiro[4.4]nonane-1,3-dione;hydrochloride?
The IUPAC name of 2-(1H-pyrazol-4-yl)-2-azaspiro[4.4]nonane-1,3-dione;hydrochloride (CID 47002477) is 2-(1H-pyrazol-4-yl)-2-azaspiro[4.4]nonane-1,3-dione;hydrochloride.
What is the SMILES notation for 2-(1H-pyrazol-4-yl)-2-azaspiro[4.4]nonane-1,3-dione;hydrochloride?
The canonical SMILES for 2-(1H-pyrazol-4-yl)-2-azaspiro[4.4]nonane-1,3-dione;hydrochloride is Cl.O=C1CC2(CCCC2)C(=O)N1c1cn[nH]c1.
What is the InChIKey of 2-(1H-pyrazol-4-yl)-2-azaspiro[4.4]nonane-1,3-dione;hydrochloride?
The InChIKey is DJIVBBMMCFSYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2.ClH/c15-9-5-11(3-1-2-4-11)10(16)14(9)8-6-12-13-7-8;/h6-7H,1-5H2,(H,12,13);1H.
What are the key properties of 2-(1H-pyrazol-4-yl)-2-azaspiro[4.4]nonane-1,3-dione;hydrochloride?
2-(1H-pyrazol-4-yl)-2-azaspiro[4.4]nonane-1,3-dione;hydrochloride has a molecular weight of 255.70 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-4-yl)-2-azaspiro[4.4]nonane-1,3-dione;hydrochloride is sourced from PubChem (CID 47002477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).