dimethyl 5-cyclohexylimino-2-(furan-2-yl)-2H-furan-3,4-dicarboxylate

C18H21NO6 — CID 134875915

IUPACdimethyl 5-cyclohexylimino-2-(furan-2-yl)-2H-furan-3,4-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(c2ccco2)O/C1=N\C1CCCCC1
InChIInChI=1S/C18H21NO6/c1-22-17(20)13-14(18(21)23-2)16(19-11-7-4-3-5-8-11)25-15(13)12-9-6-10-24-12/h6,9-11,15H,3-5,7-8H2,1-2H3/b19-16-
InChIKeyFFUANZWLBVVAOY-MNDPQUGUSA-N
MW347.37 g/mol
LogP2.72
Rot. Bonds4

About dimethyl 5-cyclohexylimino-2-(furan-2-yl)-2H-furan-3,4-dicarboxylate

dimethyl 5-cyclohexylimino-2-(furan-2-yl)-2H-furan-3,4-dicarboxylate (PubChem CID 134875915) has the molecular formula C18H21NO6 and a molecular weight of 347.37 g/mol. Its IUPAC name is dimethyl 5-cyclohexylimino-2-(furan-2-yl)-2H-furan-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-cyclohexylimino-2-(furan-2-yl)-2H-furan-3,4-dicarboxylate
PubChem CID134875915
Molecular FormulaC18H21NO6
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Namedimethyl 5-cyclohexylimino-2-(furan-2-yl)-2H-furan-3,4-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(c2ccco2)O/C1=N\C1CCCCC1
InChIInChI=1S/C18H21NO6/c1-22-17(20)13-14(18(21)23-2)16(19-11-7-4-3-5-8-11)25-15(13)12-9-6-10-24-12/h6,9-11,15H,3-5,7-8H2,1-2H3/b19-16-
InChIKeyFFUANZWLBVVAOY-MNDPQUGUSA-N
XLogP2.72
TPSA87.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl 5-cyclohexylimino-2-(furan-2-yl)-2H-furan-3,4-dicarboxylate?
The IUPAC name of dimethyl 5-cyclohexylimino-2-(furan-2-yl)-2H-furan-3,4-dicarboxylate (CID 134875915) is dimethyl 5-cyclohexylimino-2-(furan-2-yl)-2H-furan-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-cyclohexylimino-2-(furan-2-yl)-2H-furan-3,4-dicarboxylate?
The canonical SMILES for dimethyl 5-cyclohexylimino-2-(furan-2-yl)-2H-furan-3,4-dicarboxylate is COC(=O)C1=C(C(=O)OC)C(c2ccco2)O/C1=N\C1CCCCC1.
What is the InChIKey of dimethyl 5-cyclohexylimino-2-(furan-2-yl)-2H-furan-3,4-dicarboxylate?
The InChIKey is FFUANZWLBVVAOY-MNDPQUGUSA-N. The full InChI is InChI=1S/C18H21NO6/c1-22-17(20)13-14(18(21)23-2)16(19-11-7-4-3-5-8-11)25-15(13)12-9-6-10-24-12/h6,9-11,15H,3-5,7-8H2,1-2H3/b19-16-.
What are the key properties of dimethyl 5-cyclohexylimino-2-(furan-2-yl)-2H-furan-3,4-dicarboxylate?
dimethyl 5-cyclohexylimino-2-(furan-2-yl)-2H-furan-3,4-dicarboxylate has a molecular weight of 347.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-cyclohexylimino-2-(furan-2-yl)-2H-furan-3,4-dicarboxylate is sourced from PubChem (CID 134875915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).