8-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

C14H16N4O5 — CID 2525139

IUPAC8-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(N=Cc1ccc([N+](=O)[O-])o1)C2=O
InChIInChI=1S/C14H16N4O5/c1-9-4-6-14(7-5-9)12(19)17(13(20)16-14)15-8-10-2-3-11(23-10)18(21)22/h2-3,8-9H,4-7H2,1H3,(H,16,20)
InChIKeyKYWCDPVLKRQDQV-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.02
Rot. Bonds3

About 8-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

8-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2525139) has the molecular formula C14H16N4O5 and a molecular weight of 320.31 g/mol. Its IUPAC name is 8-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2525139
Molecular FormulaC14H16N4O5
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name8-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(N=Cc1ccc([N+](=O)[O-])o1)C2=O
InChIInChI=1S/C14H16N4O5/c1-9-4-6-14(7-5-9)12(19)17(13(20)16-14)15-8-10-2-3-11(23-10)18(21)22/h2-3,8-9H,4-7H2,1H3,(H,16,20)
InChIKeyKYWCDPVLKRQDQV-UHFFFAOYSA-N
XLogP2.02
TPSA118.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S,2S,6S,7R)-4-[(Z)-(5-nitrofuran-2-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 6541522
3-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18272166
8-methyl-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2532499
3-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9395752
(5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349691
8-methyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 6911594
(1R,2R,6R,7R,8S,10R)-4-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 99720983
8-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2696765
1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CID 6604200
(5R)-5-methyl-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one
CID 86294905
2,4-Imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-, sodium salt (1:1)
CID 77176029
3-[(Z)-(3,4-difluorophenyl)methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51435092

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2525139) is 8-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCC2(CC1)NC(=O)N(N=Cc1ccc([N+](=O)[O-])o1)C2=O.
What is the InChIKey of 8-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is KYWCDPVLKRQDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O5/c1-9-4-6-14(7-5-9)12(19)17(13(20)16-14)15-8-10-2-3-11(23-10)18(21)22/h2-3,8-9H,4-7H2,1H3,(H,16,20).
What are the key properties of 8-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 320.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2525139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).