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

C20H19Cl2N3O3 — CID 18272166

IUPAC3-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(/N=C/c1ccc(-c3cc(Cl)ccc3Cl)o1)C2=O
InChIInChI=1S/C20H19Cl2N3O3/c1-12-6-8-20(9-7-12)18(26)25(19(27)24-20)23-11-14-3-5-17(28-14)15-10-13(21)2-4-16(15)22/h2-5,10-12H,6-9H2,1H3,(H,24,27)/b23-11+
InChIKeyNSSNCJQRJVZESJ-FOKLQQMPSA-N
MW420.30 g/mol
LogP5.09
Rot. Bonds3

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

3-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 18272166) has the molecular formula C20H19Cl2N3O3 and a molecular weight of 420.30 g/mol. Its IUPAC name is 3-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID18272166
Molecular FormulaC20H19Cl2N3O3
Molecular Weight420.30 g/mol
Exact Mass419.08
IUPAC Name3-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(/N=C/c1ccc(-c3cc(Cl)ccc3Cl)o1)C2=O
InChIInChI=1S/C20H19Cl2N3O3/c1-12-6-8-20(9-7-12)18(26)25(19(27)24-20)23-11-14-3-5-17(28-14)15-10-13(21)2-4-16(15)22/h2-5,10-12H,6-9H2,1H3,(H,24,27)/b23-11+
InChIKeyNSSNCJQRJVZESJ-FOKLQQMPSA-N
XLogP5.09
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.30
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 18272166) is 3-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCC2(CC1)NC(=O)N(/N=C/c1ccc(-c3cc(Cl)ccc3Cl)o1)C2=O.
What is the InChIKey of 3-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is NSSNCJQRJVZESJ-FOKLQQMPSA-N. The full InChI is InChI=1S/C20H19Cl2N3O3/c1-12-6-8-20(9-7-12)18(26)25(19(27)24-20)23-11-14-3-5-17(28-14)15-10-13(21)2-4-16(15)22/h2-5,10-12H,6-9H2,1H3,(H,24,27)/b23-11+.
What are the key properties of 3-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 420.30 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 18272166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).