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

C15H15Cl2N3O2 — CID 2643518

IUPAC3-[(2,4-dichlorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1N=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2N3O2/c16-11-5-4-10(12(17)8-11)9-18-20-13(21)15(19-14(20)22)6-2-1-3-7-15/h4-5,8-9H,1-3,6-7H2,(H,19,22)
InChIKeyVSIUZUFJHNKFEQ-UHFFFAOYSA-N
MW340.21 g/mol
LogP3.58
Rot. Bonds2

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

3-[(2,4-dichlorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2643518) has the molecular formula C15H15Cl2N3O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2643518
Molecular FormulaC15H15Cl2N3O2
Molecular Weight340.21 g/mol
Exact Mass339.05
IUPAC Name3-[(2,4-dichlorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1N=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2N3O2/c16-11-5-4-10(12(17)8-11)9-18-20-13(21)15(19-14(20)22)6-2-1-3-7-15/h4-5,8-9H,1-3,6-7H2,(H,19,22)
InChIKeyVSIUZUFJHNKFEQ-UHFFFAOYSA-N
XLogP3.58
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(2,4-dichlorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2643518) is 3-[(2,4-dichlorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCCCC2)C(=O)N1N=Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is VSIUZUFJHNKFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2/c16-11-5-4-10(12(17)8-11)9-18-20-13(21)15(19-14(20)22)6-2-1-3-7-15/h4-5,8-9H,1-3,6-7H2,(H,19,22).
What are the key properties of 3-[(2,4-dichlorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(2,4-dichlorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 340.21 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2643518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).