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

C23H23NO6 — CID 15437614

IUPACdimethyl 5-cyclohexylimino-4'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(C=CC(=O)c3ccccc32)O/C1=N\C1CCCCC1
InChIInChI=1S/C23H23NO6/c1-28-21(26)18-19(22(27)29-2)23(30-20(18)24-14-8-4-3-5-9-14)13-12-17(25)15-10-6-7-11-16(15)23/h6-7,10-14H,3-5,8-9H2,1-2H3/b24-20-
InChIKeyWAVPJUJIAGIOIY-GFMRDNFCSA-N
MW409.44 g/mol
LogP3.04
Rot. Bonds3

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

dimethyl 5-cyclohexylimino-4'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate (PubChem CID 15437614) has the molecular formula C23H23NO6 and a molecular weight of 409.44 g/mol. Its IUPAC name is dimethyl 5-cyclohexylimino-4'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-cyclohexylimino-4'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate
PubChem CID15437614
Molecular FormulaC23H23NO6
Molecular Weight409.44 g/mol
Exact Mass409.15
IUPAC Namedimethyl 5-cyclohexylimino-4'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(C=CC(=O)c3ccccc32)O/C1=N\C1CCCCC1
InChIInChI=1S/C23H23NO6/c1-28-21(26)18-19(22(27)29-2)23(30-20(18)24-14-8-4-3-5-9-14)13-12-17(25)15-10-6-7-11-16(15)23/h6-7,10-14H,3-5,8-9H2,1-2H3/b24-20-
InChIKeyWAVPJUJIAGIOIY-GFMRDNFCSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl 5'-cyclohexylimino-2-oxospiro[acenaphthylene-1,2'-furan]-3',4'-dicarboxylate
CID 11407850
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 5-cyclohexylimino-2'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate
CID 15437618
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
dimethyl 5-cyclohexylimino-2-phenyl-2H-furan-3,4-dicarboxylate
CID 134873038
[2-Benzylimino-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpentan-3-yl] benzoate
CID 138969368
[3-Benzylimino-2-(4-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl] benzoate
CID 138969370
[3-Benzylimino-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-phenylbutan-2-yl] 4-methylbenzoate
CID 138969372
[3-Benzylimino-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-phenylbutan-2-yl] benzoate
CID 138969377
(5E)-Dimethyl 2-bromomethyl-5-cyclohexylimino-2-phenyl-2,5-dihydrofuran-3,4-dicarboxylate
CID 139076383

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-cyclohexylimino-4'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate?
The IUPAC name of dimethyl 5-cyclohexylimino-4'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate (CID 15437614) is dimethyl 5-cyclohexylimino-4'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-cyclohexylimino-4'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate?
The canonical SMILES for dimethyl 5-cyclohexylimino-4'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate is COC(=O)C1=C(C(=O)OC)C2(C=CC(=O)c3ccccc32)O/C1=N\C1CCCCC1.
What is the InChIKey of dimethyl 5-cyclohexylimino-4'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate?
The InChIKey is WAVPJUJIAGIOIY-GFMRDNFCSA-N. The full InChI is InChI=1S/C23H23NO6/c1-28-21(26)18-19(22(27)29-2)23(30-20(18)24-14-8-4-3-5-9-14)13-12-17(25)15-10-6-7-11-16(15)23/h6-7,10-14H,3-5,8-9H2,1-2H3/b24-20-.
What are the key properties of dimethyl 5-cyclohexylimino-4'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate?
dimethyl 5-cyclohexylimino-4'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate has a molecular weight of 409.44 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-cyclohexylimino-4'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate is sourced from PubChem (CID 15437614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).