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

C25H23NO6 — CID 11407850

IUPACdimethyl 5'-cyclohexylimino-2-oxospiro[acenaphthylene-1,2'-furan]-3',4'-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(O/C1=N\C1CCCCC1)C(=O)c1cccc3cccc2c13
InChIInChI=1S/C25H23NO6/c1-30-23(28)19-20(24(29)31-2)25(32-22(19)26-15-10-4-3-5-11-15)17-13-7-9-14-8-6-12-16(18(14)17)21(25)27/h6-9,12-13,15H,3-5,10-11H2,1-2H3/b26-22-
InChIKeyKUZNOHNJFCJCBT-ROMGYVFFSA-N
MW433.46 g/mol
LogP3.64
Rot. Bonds3

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

dimethyl 5'-cyclohexylimino-2-oxospiro[acenaphthylene-1,2'-furan]-3',4'-dicarboxylate (PubChem CID 11407850) has the molecular formula C25H23NO6 and a molecular weight of 433.46 g/mol. Its IUPAC name is dimethyl 5'-cyclohexylimino-2-oxospiro[acenaphthylene-1,2'-furan]-3',4'-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5'-cyclohexylimino-2-oxospiro[acenaphthylene-1,2'-furan]-3',4'-dicarboxylate
PubChem CID11407850
Molecular FormulaC25H23NO6
Molecular Weight433.46 g/mol
Exact Mass433.15
IUPAC Namedimethyl 5'-cyclohexylimino-2-oxospiro[acenaphthylene-1,2'-furan]-3',4'-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(O/C1=N\C1CCCCC1)C(=O)c1cccc3cccc2c13
InChIInChI=1S/C25H23NO6/c1-30-23(28)19-20(24(29)31-2)25(32-22(19)26-15-10-4-3-5-11-15)17-13-7-9-14-8-6-12-16(18(14)17)21(25)27/h6-9,12-13,15H,3-5,10-11H2,1-2H3/b26-22-
InChIKeyKUZNOHNJFCJCBT-ROMGYVFFSA-N
XLogP3.64
TPSA91.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 53.64
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-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 5-cyclohexylimino-2'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate
CID 15437618
Dimethyl 2-benzoyl-5-(cyclohexylimino)-2-phenyl-2,5-dihydrofuran-3,4-dicarboxylate
CID 101272693
Methyl 4'-methoxy-2,5'-dioxospiro[acenaphthylene-1,2'-furan]-3'-carboxylate
CID 15470689
Ditert-butyl 5'-(2,6-dimethylphenyl)imino-2-oxospiro[acenaphthylene-1,2'-furan]-3',4'-dicarboxylate
CID 11497534
Diethyl 5'-(2,6-dimethylphenyl)imino-2-oxospiro[acenaphthylene-1,2'-furan]-3',4'-dicarboxylate
CID 11583887
Dimethyl 5'-(2,6-dimethylphenyl)imino-2-oxospiro[acenaphthylene-1,2'-furan]-3',4'-dicarboxylate
CID 11648185
Ethyl 2-oxo-3'-phenyl-2H,4'H-spiro[acenaphthylene-1,5'-[1,2]oxazole]-4'-carboxylate
CID 13715661
ethyl 2'-oxo-3-(2,4,6-trimethylphenyl)spiro[4H-1,2-oxazole-5,1'-acenaphthylene]-4-carboxylate
CID 13715662

Frequently Asked Questions

What is the IUPAC name of dimethyl 5'-cyclohexylimino-2-oxospiro[acenaphthylene-1,2'-furan]-3',4'-dicarboxylate?
The IUPAC name of dimethyl 5'-cyclohexylimino-2-oxospiro[acenaphthylene-1,2'-furan]-3',4'-dicarboxylate (CID 11407850) is dimethyl 5'-cyclohexylimino-2-oxospiro[acenaphthylene-1,2'-furan]-3',4'-dicarboxylate.
What is the SMILES notation for dimethyl 5'-cyclohexylimino-2-oxospiro[acenaphthylene-1,2'-furan]-3',4'-dicarboxylate?
The canonical SMILES for dimethyl 5'-cyclohexylimino-2-oxospiro[acenaphthylene-1,2'-furan]-3',4'-dicarboxylate is COC(=O)C1=C(C(=O)OC)C2(O/C1=N\C1CCCCC1)C(=O)c1cccc3cccc2c13.
What is the InChIKey of dimethyl 5'-cyclohexylimino-2-oxospiro[acenaphthylene-1,2'-furan]-3',4'-dicarboxylate?
The InChIKey is KUZNOHNJFCJCBT-ROMGYVFFSA-N. The full InChI is InChI=1S/C25H23NO6/c1-30-23(28)19-20(24(29)31-2)25(32-22(19)26-15-10-4-3-5-11-15)17-13-7-9-14-8-6-12-16(18(14)17)21(25)27/h6-9,12-13,15H,3-5,10-11H2,1-2H3/b26-22-.
What are the key properties of dimethyl 5'-cyclohexylimino-2-oxospiro[acenaphthylene-1,2'-furan]-3',4'-dicarboxylate?
dimethyl 5'-cyclohexylimino-2-oxospiro[acenaphthylene-1,2'-furan]-3',4'-dicarboxylate has a molecular weight of 433.46 g/mol, XLogP of 3.64, 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[acenaphthylene-1,2'-furan]-3',4'-dicarboxylate is sourced from PubChem (CID 11407850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).