3-[(Z)-(3,4-difluorophenyl)methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C16H17F2N3O2 — CID 51435092

IUPAC3-[(Z)-(3,4-difluorophenyl)methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(/N=C\c1ccc(F)c(F)c1)C2=O
InChIInChI=1S/C16H17F2N3O2/c1-10-4-6-16(7-5-10)14(22)21(15(23)20-16)19-9-11-2-3-12(17)13(18)8-11/h2-3,8-10H,4-7H2,1H3,(H,20,23)/b19-9-
InChIKeyJVRHPERRKGGGOG-OCKHKDLRSA-N
MW321.33 g/mol
LogP2.80
Rot. Bonds2

About 3-[(Z)-(3,4-difluorophenyl)methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(Z)-(3,4-difluorophenyl)methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 51435092) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 3-[(Z)-(3,4-difluorophenyl)methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(Z)-(3,4-difluorophenyl)methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID51435092
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name3-[(Z)-(3,4-difluorophenyl)methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(/N=C\c1ccc(F)c(F)c1)C2=O
InChIInChI=1S/C16H17F2N3O2/c1-10-4-6-16(7-5-10)14(22)21(15(23)20-16)19-9-11-2-3-12(17)13(18)8-11/h2-3,8-10H,4-7H2,1H3,(H,20,23)/b19-9-
InChIKeyJVRHPERRKGGGOG-OCKHKDLRSA-N
XLogP2.80
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.80
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-[(Z)-(3,4-difluorophenyl)methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(Z)-(3,4-difluorophenyl)methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 51435092) is 3-[(Z)-(3,4-difluorophenyl)methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(Z)-(3,4-difluorophenyl)methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(Z)-(3,4-difluorophenyl)methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCC2(CC1)NC(=O)N(/N=C\c1ccc(F)c(F)c1)C2=O.
What is the InChIKey of 3-[(Z)-(3,4-difluorophenyl)methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is JVRHPERRKGGGOG-OCKHKDLRSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-10-4-6-16(7-5-10)14(22)21(15(23)20-16)19-9-11-2-3-12(17)13(18)8-11/h2-3,8-10H,4-7H2,1H3,(H,20,23)/b19-9-.
What are the key properties of 3-[(Z)-(3,4-difluorophenyl)methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(Z)-(3,4-difluorophenyl)methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 321.33 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-(3,4-difluorophenyl)methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 51435092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).