8-(2,6-dichloro-3-methylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione

C14H12Cl2N2O3 — CID 115946436

IUPAC8-(2,6-dichloro-3-methylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESCc1ccc(Cl)c(N2C(=O)NC(=O)C3(CCC3)C2=O)c1Cl
InChIInChI=1S/C14H12Cl2N2O3/c1-7-3-4-8(15)10(9(7)16)18-12(20)14(5-2-6-14)11(19)17-13(18)21/h3-4H,2,5-6H2,1H3,(H,17,19,21)
InChIKeyZWKFRPVXDSRIDS-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.05
Rot. Bonds1

About 8-(2,6-dichloro-3-methylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione

8-(2,6-dichloro-3-methylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione (PubChem CID 115946436) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is 8-(2,6-dichloro-3-methylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione.

Molecular Properties

Compound Name8-(2,6-dichloro-3-methylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
PubChem CID115946436
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name8-(2,6-dichloro-3-methylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESCc1ccc(Cl)c(N2C(=O)NC(=O)C3(CCC3)C2=O)c1Cl
InChIInChI=1S/C14H12Cl2N2O3/c1-7-3-4-8(15)10(9(7)16)18-12(20)14(5-2-6-14)11(19)17-13(18)21/h3-4H,2,5-6H2,1H3,(H,17,19,21)
InChIKeyZWKFRPVXDSRIDS-UHFFFAOYSA-N
XLogP3.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dichloro-3-methylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The IUPAC name of 8-(2,6-dichloro-3-methylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione (CID 115946436) is 8-(2,6-dichloro-3-methylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione.
What is the SMILES notation for 8-(2,6-dichloro-3-methylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The canonical SMILES for 8-(2,6-dichloro-3-methylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione is Cc1ccc(Cl)c(N2C(=O)NC(=O)C3(CCC3)C2=O)c1Cl.
What is the InChIKey of 8-(2,6-dichloro-3-methylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The InChIKey is ZWKFRPVXDSRIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c1-7-3-4-8(15)10(9(7)16)18-12(20)14(5-2-6-14)11(19)17-13(18)21/h3-4H,2,5-6H2,1H3,(H,17,19,21).
What are the key properties of 8-(2,6-dichloro-3-methylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
8-(2,6-dichloro-3-methylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione has a molecular weight of 327.17 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dichloro-3-methylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione is sourced from PubChem (CID 115946436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).