dimethyl 5-cyclohexylimino-2'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate

C23H23NO6 — CID 15437618

IUPACdimethyl 5-cyclohexylimino-2'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(O/C1=N\C1CCCCC1)C(=O)C=Cc1ccccc12
InChIInChI=1S/C23H23NO6/c1-28-21(26)18-19(22(27)29-2)23(30-20(18)24-15-9-4-3-5-10-15)16-11-7-6-8-14(16)12-13-17(23)25/h6-8,11-13,15H,3-5,9-10H2,1-2H3/b24-20-
InChIKeyAVQBKMIZUYGZLG-GFMRDNFCSA-N
MW409.44 g/mol
LogP2.88
Rot. Bonds3

About dimethyl 5-cyclohexylimino-2'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate

dimethyl 5-cyclohexylimino-2'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate (PubChem CID 15437618) has the molecular formula C23H23NO6 and a molecular weight of 409.44 g/mol. Its IUPAC name is dimethyl 5-cyclohexylimino-2'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-cyclohexylimino-2'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate
PubChem CID15437618
Molecular FormulaC23H23NO6
Molecular Weight409.44 g/mol
Exact Mass409.15
IUPAC Namedimethyl 5-cyclohexylimino-2'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(O/C1=N\C1CCCCC1)C(=O)C=Cc1ccccc12
InChIInChI=1S/C23H23NO6/c1-28-21(26)18-19(22(27)29-2)23(30-20(18)24-15-9-4-3-5-10-15)16-11-7-6-8-14(16)12-13-17(23)25/h6-8,11-13,15H,3-5,9-10H2,1-2H3/b24-20-
InChIKeyAVQBKMIZUYGZLG-GFMRDNFCSA-N
XLogP2.88
TPSA91.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze dimethyl 5-cyclohexylimino-2'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dimethyl 5'-cyclohexylimino-2-oxospiro[acenaphthylene-1,2'-furan]-3',4'-dicarboxylate
CID 11407850
Dimethyl 5-cyclohexylimino-4'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate
CID 15437614
Dimethyl 5'-cyclohexylimino-10-oxospiro[anthracene-9,2'-furan]-3',4'-dicarboxylate
CID 15437615
Dimethyl 5-cyclohexylimino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate
CID 15437617
Dimethyl 2-(bromomethyl)-5-cyclohexylimino-2-phenylfuran-3,4-dicarboxylate
CID 90802231
Dimethyl 2-benzoyl-5-(cyclohexylimino)-2-phenyl-2,5-dihydrofuran-3,4-dicarboxylate
CID 101272693
3-O,4-O-diethyl 2-O-methyl 5-tert-butylimino-2-phenylfuran-2,3,4-tricarboxylate
CID 102210721
dimethyl 5-cyclohexylimino-2-phenyl-2H-furan-3,4-dicarboxylate
CID 134873038
(5E)-Dimethyl 2-bromomethyl-5-cyclohexylimino-2-phenyl-2,5-dihydrofuran-3,4-dicarboxylate
CID 139076383
Dimethyl 5-cyclohexylimino-2-phenyl-2-(trifluoromethyl)furan-3,4-dicarboxylate
CID 54762647
Dimethyl 5'-cyclohexylimino-3-oxospiro[2-benzofuran-1,2'-furan]-3',4'-dicarboxylate
CID 11292483
Dimethyl 2-(bromomethyl)-5-cyclohexylimino-2-(4-methylphenyl)furan-3,4-dicarboxylate
CID 53309518

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-cyclohexylimino-2'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate?
The IUPAC name of dimethyl 5-cyclohexylimino-2'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate (CID 15437618) is dimethyl 5-cyclohexylimino-2'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-cyclohexylimino-2'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate?
The canonical SMILES for dimethyl 5-cyclohexylimino-2'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate is COC(=O)C1=C(C(=O)OC)C2(O/C1=N\C1CCCCC1)C(=O)C=Cc1ccccc12.
What is the InChIKey of dimethyl 5-cyclohexylimino-2'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate?
The InChIKey is AVQBKMIZUYGZLG-GFMRDNFCSA-N. The full InChI is InChI=1S/C23H23NO6/c1-28-21(26)18-19(22(27)29-2)23(30-20(18)24-15-9-4-3-5-10-15)16-11-7-6-8-14(16)12-13-17(23)25/h6-8,11-13,15H,3-5,9-10H2,1-2H3/b24-20-.
What are the key properties of dimethyl 5-cyclohexylimino-2'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate?
dimethyl 5-cyclohexylimino-2'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate has a molecular weight of 409.44 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-cyclohexylimino-2'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate is sourced from PubChem (CID 15437618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).