dimethyl 2-cyclohexylimino-6-phenylpyran-3,4-dicarboxylate

C21H23NO5 — CID 102049367

IUPACdimethyl 2-cyclohexylimino-6-phenylpyran-3,4-dicarboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)o/c(=N\C2CCCCC2)c1C(=O)OC
InChIInChI=1S/C21H23NO5/c1-25-20(23)16-13-17(14-9-5-3-6-10-14)27-19(18(16)21(24)26-2)22-15-11-7-4-8-12-15/h3,5-6,9-10,13,15H,4,7-8,11-12H2,1-2H3/b22-19-
InChIKeyFAKAFXGODRLMNN-QOCHGBHMSA-N
MW369.42 g/mol
LogP3.75
Rot. Bonds4

About dimethyl 2-cyclohexylimino-6-phenylpyran-3,4-dicarboxylate

dimethyl 2-cyclohexylimino-6-phenylpyran-3,4-dicarboxylate (PubChem CID 102049367) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is dimethyl 2-cyclohexylimino-6-phenylpyran-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-cyclohexylimino-6-phenylpyran-3,4-dicarboxylate
PubChem CID102049367
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Namedimethyl 2-cyclohexylimino-6-phenylpyran-3,4-dicarboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)o/c(=N\C2CCCCC2)c1C(=O)OC
InChIInChI=1S/C21H23NO5/c1-25-20(23)16-13-17(14-9-5-3-6-10-14)27-19(18(16)21(24)26-2)22-15-11-7-4-8-12-15/h3,5-6,9-10,13,15H,4,7-8,11-12H2,1-2H3/b22-19-
InChIKeyFAKAFXGODRLMNN-QOCHGBHMSA-N
XLogP3.75
TPSA78.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze dimethyl 2-cyclohexylimino-6-phenylpyran-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

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-cyclohexylimino-6-phenylpyran-3,4-dicarboxylate?
The IUPAC name of dimethyl 2-cyclohexylimino-6-phenylpyran-3,4-dicarboxylate (CID 102049367) is dimethyl 2-cyclohexylimino-6-phenylpyran-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-cyclohexylimino-6-phenylpyran-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2-cyclohexylimino-6-phenylpyran-3,4-dicarboxylate is COC(=O)c1cc(-c2ccccc2)o/c(=N\C2CCCCC2)c1C(=O)OC.
What is the InChIKey of dimethyl 2-cyclohexylimino-6-phenylpyran-3,4-dicarboxylate?
The InChIKey is FAKAFXGODRLMNN-QOCHGBHMSA-N. The full InChI is InChI=1S/C21H23NO5/c1-25-20(23)16-13-17(14-9-5-3-6-10-14)27-19(18(16)21(24)26-2)22-15-11-7-4-8-12-15/h3,5-6,9-10,13,15H,4,7-8,11-12H2,1-2H3/b22-19-.
What are the key properties of dimethyl 2-cyclohexylimino-6-phenylpyran-3,4-dicarboxylate?
dimethyl 2-cyclohexylimino-6-phenylpyran-3,4-dicarboxylate has a molecular weight of 369.42 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-cyclohexylimino-6-phenylpyran-3,4-dicarboxylate is sourced from PubChem (CID 102049367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).