2-benzyl-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride

C15H19ClN2O2 — CID 118741619

IUPAC2-benzyl-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride
SMILESCl.O=C1CC2(CCCNC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C15H18N2O2.ClH/c18-13-9-15(7-4-8-16-11-15)14(19)17(13)10-12-5-2-1-3-6-12;/h1-3,5-6,16H,4,7-11H2;1H
InChIKeySIXGDATZRDWMKY-UHFFFAOYSA-N
MW294.78 g/mol
LogP1.74
Rot. Bonds2

About 2-benzyl-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride

2-benzyl-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride (PubChem CID 118741619) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-benzyl-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-benzyl-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride
PubChem CID118741619
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-benzyl-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride
SMILESCl.O=C1CC2(CCCNC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C15H18N2O2.ClH/c18-13-9-15(7-4-8-16-11-15)14(19)17(13)10-12-5-2-1-3-6-12;/h1-3,5-6,16H,4,7-11H2;1H
InChIKeySIXGDATZRDWMKY-UHFFFAOYSA-N
XLogP1.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 51.74
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-benzyl-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride?
The IUPAC name of 2-benzyl-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride (CID 118741619) is 2-benzyl-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride.
What is the SMILES notation for 2-benzyl-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride?
The canonical SMILES for 2-benzyl-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride is Cl.O=C1CC2(CCCNC2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 2-benzyl-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride?
The InChIKey is SIXGDATZRDWMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2.ClH/c18-13-9-15(7-4-8-16-11-15)14(19)17(13)10-12-5-2-1-3-6-12;/h1-3,5-6,16H,4,7-11H2;1H.
What are the key properties of 2-benzyl-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride?
2-benzyl-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride has a molecular weight of 294.78 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride is sourced from PubChem (CID 118741619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).