dimethyl 5'-cyclohexylimino-10-oxospiro[anthracene-9,2'-furan]-3',4'-dicarboxylate

C27H25NO6 — CID 15437615

IUPACdimethyl 5'-cyclohexylimino-10-oxospiro[anthracene-9,2'-furan]-3',4'-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(O/C1=N\C1CCCCC1)c1ccccc1C(=O)c1ccccc12
InChIInChI=1S/C27H25NO6/c1-32-25(30)21-22(26(31)33-2)27(34-24(21)28-16-10-4-3-5-11-16)19-14-8-6-12-17(19)23(29)18-13-7-9-15-20(18)27/h6-9,12-16H,3-5,10-11H2,1-2H3/b28-24-
InChIKeyOOAFSSQZYBCTDU-COOPMVRXSA-N
MW459.50 g/mol
LogP3.88
Rot. Bonds3

About dimethyl 5'-cyclohexylimino-10-oxospiro[anthracene-9,2'-furan]-3',4'-dicarboxylate

dimethyl 5'-cyclohexylimino-10-oxospiro[anthracene-9,2'-furan]-3',4'-dicarboxylate (PubChem CID 15437615) has the molecular formula C27H25NO6 and a molecular weight of 459.50 g/mol. Its IUPAC name is dimethyl 5'-cyclohexylimino-10-oxospiro[anthracene-9,2'-furan]-3',4'-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5'-cyclohexylimino-10-oxospiro[anthracene-9,2'-furan]-3',4'-dicarboxylate
PubChem CID15437615
Molecular FormulaC27H25NO6
Molecular Weight459.50 g/mol
Exact Mass459.17
IUPAC Namedimethyl 5'-cyclohexylimino-10-oxospiro[anthracene-9,2'-furan]-3',4'-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(O/C1=N\C1CCCCC1)c1ccccc1C(=O)c1ccccc12
InChIInChI=1S/C27H25NO6/c1-32-25(30)21-22(26(31)33-2)27(34-24(21)28-16-10-4-3-5-11-16)19-14-8-6-12-17(19)23(29)18-13-7-9-15-20(18)27/h6-9,12-16H,3-5,10-11H2,1-2H3/b28-24-
InChIKeyOOAFSSQZYBCTDU-COOPMVRXSA-N
XLogP3.88
TPSA91.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze dimethyl 5'-cyclohexylimino-10-oxospiro[anthracene-9,2'-furan]-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[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
1-[(4aS,5S,6R,7S)-7-methyl-6-[(1S)-2-oxo-1,2-diphenylethoxy]-2,3,4,4a,5,6,7,8-octahydroquinolin-5-yl]-4-methoxybutan-2-one
CID 135020286
Dimethyl 5-(2,6-dimethylphenyl)imino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate
CID 11503949
Dimethyl 2-(bromomethyl)-5-cyclohexylimino-2-naphthalen-2-ylfuran-3,4-dicarboxylate
CID 53309668
Diethyl 2-(bromomethyl)-5-cyclohexylimino-2-naphthalen-2-ylfuran-3,4-dicarboxylate
CID 53309669
Diethyl 2-(bromomethyl)-5-cyclohexylimino-2-naphthalen-1-ylfuran-3,4-dicarboxylate
CID 101802523
benzyl (1R,12S)-9,14-dimethyl-2-oxo-15-oxa-13-azatetracyclo[10.2.1.01,10.03,8]pentadeca-3,5,7,10,13-pentaene-11-carboxylate
CID 102471440
Methyl 4-[1-butylimino-4-(3-oxobutyl)isochromen-3-yl]benzoate
CID 132555151

Frequently Asked Questions

What is the IUPAC name of dimethyl 5'-cyclohexylimino-10-oxospiro[anthracene-9,2'-furan]-3',4'-dicarboxylate?
The IUPAC name of dimethyl 5'-cyclohexylimino-10-oxospiro[anthracene-9,2'-furan]-3',4'-dicarboxylate (CID 15437615) is dimethyl 5'-cyclohexylimino-10-oxospiro[anthracene-9,2'-furan]-3',4'-dicarboxylate.
What is the SMILES notation for dimethyl 5'-cyclohexylimino-10-oxospiro[anthracene-9,2'-furan]-3',4'-dicarboxylate?
The canonical SMILES for dimethyl 5'-cyclohexylimino-10-oxospiro[anthracene-9,2'-furan]-3',4'-dicarboxylate is COC(=O)C1=C(C(=O)OC)C2(O/C1=N\C1CCCCC1)c1ccccc1C(=O)c1ccccc12.
What is the InChIKey of dimethyl 5'-cyclohexylimino-10-oxospiro[anthracene-9,2'-furan]-3',4'-dicarboxylate?
The InChIKey is OOAFSSQZYBCTDU-COOPMVRXSA-N. The full InChI is InChI=1S/C27H25NO6/c1-32-25(30)21-22(26(31)33-2)27(34-24(21)28-16-10-4-3-5-11-16)19-14-8-6-12-17(19)23(29)18-13-7-9-15-20(18)27/h6-9,12-16H,3-5,10-11H2,1-2H3/b28-24-.
What are the key properties of dimethyl 5'-cyclohexylimino-10-oxospiro[anthracene-9,2'-furan]-3',4'-dicarboxylate?
dimethyl 5'-cyclohexylimino-10-oxospiro[anthracene-9,2'-furan]-3',4'-dicarboxylate has a molecular weight of 459.50 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5'-cyclohexylimino-10-oxospiro[anthracene-9,2'-furan]-3',4'-dicarboxylate is sourced from PubChem (CID 15437615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).