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

C15H16FN3O2 — CID 2643548

IUPAC3-[(3-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1N=Cc1cccc(F)c1
InChIInChI=1S/C15H16FN3O2/c16-12-6-4-5-11(9-12)10-17-19-13(20)15(18-14(19)21)7-2-1-3-8-15/h4-6,9-10H,1-3,7-8H2,(H,18,21)
InChIKeyYTASLFNYUYUEQG-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.41
Rot. Bonds2

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

3-[(3-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2643548) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2643548
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name3-[(3-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1N=Cc1cccc(F)c1
InChIInChI=1S/C15H16FN3O2/c16-12-6-4-5-11(9-12)10-17-19-13(20)15(18-14(19)21)7-2-1-3-8-15/h4-6,9-10H,1-3,7-8H2,(H,18,21)
InChIKeyYTASLFNYUYUEQG-UHFFFAOYSA-N
XLogP2.41
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.41
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-[(E)-(2-bromophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 6907279
5-ethyl-5-methyl-3-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]imidazolidine-2,4-dione
CID 16293573
5-ethyl-5-methyl-3-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]imidazolidine-2,4-dione
CID 16292933
5-Ethyl-5-methyl-3-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]imidazolidine-2,4-dione
CID 72035009
3-[(E)-(4-fluorophenyl)methylideneamino]imidazolidine-2,4-dione
CID 154931730
3-[(4-Fluorophenyl)methylideneamino]imidazolidine-2,4-dione
CID 154931732
3-[(4-Methylbenzylidene)amino]-5-propylimidazolidine-2,4-dione
CID 155292888
3-(Benzylideneamino)-5-phenylimidazolidine-2,4-dione
CID 155292912
3-[(2-Chloro-6-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643512
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-[[2-(Trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643528

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(3-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2643548) is 3-[(3-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(3-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(3-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCCCC2)C(=O)N1N=Cc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is YTASLFNYUYUEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-12-6-4-5-11(9-12)10-17-19-13(20)15(18-14(19)21)7-2-1-3-8-15/h4-6,9-10H,1-3,7-8H2,(H,18,21).
What are the key properties of 3-[(3-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(3-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 289.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2643548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).