1-(4-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione

C15H18N2O2 — CID 56604883

IUPAC1-(4-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccc(N2C(=O)NC(=O)C23CCCCC3)cc1
InChIInChI=1S/C15H18N2O2/c1-11-5-7-12(8-6-11)17-14(19)16-13(18)15(17)9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3,(H,16,18,19)
InChIKeyCSRLBSJEXACOOX-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.75
Rot. Bonds1

About 1-(4-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione

1-(4-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 56604883) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(4-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-(4-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID56604883
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(4-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccc(N2C(=O)NC(=O)C23CCCCC3)cc1
InChIInChI=1S/C15H18N2O2/c1-11-5-7-12(8-6-11)17-14(19)16-13(18)15(17)9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3,(H,16,18,19)
InChIKeyCSRLBSJEXACOOX-UHFFFAOYSA-N
XLogP2.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-(4-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione (CID 56604883) is 1-(4-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-(4-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-(4-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione is Cc1ccc(N2C(=O)NC(=O)C23CCCCC3)cc1.
What is the InChIKey of 1-(4-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is CSRLBSJEXACOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-5-7-12(8-6-11)17-14(19)16-13(18)15(17)9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3,(H,16,18,19).
What are the key properties of 1-(4-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
1-(4-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 258.32 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 56604883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).