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

C15H16BrN3O2 — CID 6907279

IUPAC3-[(E)-(2-bromophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1/N=C/c1ccccc1Br
InChIInChI=1S/C15H16BrN3O2/c16-12-7-3-2-6-11(12)10-17-19-13(20)15(18-14(19)21)8-4-1-5-9-15/h2-3,6-7,10H,1,4-5,8-9H2,(H,18,21)/b17-10+
InChIKeyDUVICBGNJCGWDL-LICLKQGHSA-N
MW350.22 g/mol
LogP3.04
Rot. Bonds2

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

3-[(E)-(2-bromophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 6907279) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 3-[(E)-(2-bromophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(E)-(2-bromophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID6907279
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name3-[(E)-(2-bromophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1/N=C/c1ccccc1Br
InChIInChI=1S/C15H16BrN3O2/c16-12-7-3-2-6-11(12)10-17-19-13(20)15(18-14(19)21)8-4-1-5-9-15/h2-3,6-7,10H,1,4-5,8-9H2,(H,18,21)/b17-10+
InChIKeyDUVICBGNJCGWDL-LICLKQGHSA-N
XLogP3.04
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 53.04
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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Related Compounds

3-[[4-(Trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643524
3-[(2,4-Difluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643525
3-[[3-(Trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643543
3-[(2-Fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643547
3-[(3-Fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643548
3-[(2,6-Difluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643568
3-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 5696813
3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 5696824
3-[(Z)-(2,4-difluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 5696825
3-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 5696844
3-[(Z)-(2-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 5696848
3-[(Z)-(3-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 5696849

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(2-bromophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(E)-(2-bromophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 6907279) is 3-[(E)-(2-bromophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(E)-(2-bromophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(E)-(2-bromophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCCCC2)C(=O)N1/N=C/c1ccccc1Br.
What is the InChIKey of 3-[(E)-(2-bromophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is DUVICBGNJCGWDL-LICLKQGHSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c16-12-7-3-2-6-11(12)10-17-19-13(20)15(18-14(19)21)8-4-1-5-9-15/h2-3,6-7,10H,1,4-5,8-9H2,(H,18,21)/b17-10+.
What are the key properties of 3-[(E)-(2-bromophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(E)-(2-bromophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 350.22 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(2-bromophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 6907279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).