dimethyl (5E)-5-[1-(dimethylamino)ethylidene]-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate

C14H19NO4 — CID 5363348

IUPACdimethyl (5E)-5-[1-(dimethylamino)ethylidene]-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate
SMILESCOC(=O)C1=C/C(=C(/C)N(C)C)C(C(=O)OC)=C1C
InChIInChI=1S/C14H19NO4/c1-8-10(13(16)18-5)7-11(9(2)15(3)4)12(8)14(17)19-6/h7H,1-6H3/b11-9+
InChIKeyFNFZOVOPBNRFRN-PKNBQFBNSA-N
MW265.31 g/mol
LogP1.42
Rot. Bonds3

About dimethyl (5E)-5-[1-(dimethylamino)ethylidene]-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate

dimethyl (5E)-5-[1-(dimethylamino)ethylidene]-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate (PubChem CID 5363348) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is dimethyl (5E)-5-[1-(dimethylamino)ethylidene]-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl (5E)-5-[1-(dimethylamino)ethylidene]-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate
PubChem CID5363348
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namedimethyl (5E)-5-[1-(dimethylamino)ethylidene]-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate
SMILESCOC(=O)C1=C/C(=C(/C)N(C)C)C(C(=O)OC)=C1C
InChIInChI=1S/C14H19NO4/c1-8-10(13(16)18-5)7-11(9(2)15(3)4)12(8)14(17)19-6/h7H,1-6H3/b11-9+
InChIKeyFNFZOVOPBNRFRN-PKNBQFBNSA-N
XLogP1.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl (5E)-5-[1-(dimethylamino)ethylidene]-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate?
The IUPAC name of dimethyl (5E)-5-[1-(dimethylamino)ethylidene]-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate (CID 5363348) is dimethyl (5E)-5-[1-(dimethylamino)ethylidene]-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl (5E)-5-[1-(dimethylamino)ethylidene]-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate?
The canonical SMILES for dimethyl (5E)-5-[1-(dimethylamino)ethylidene]-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate is COC(=O)C1=C/C(=C(/C)N(C)C)C(C(=O)OC)=C1C.
What is the InChIKey of dimethyl (5E)-5-[1-(dimethylamino)ethylidene]-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate?
The InChIKey is FNFZOVOPBNRFRN-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H19NO4/c1-8-10(13(16)18-5)7-11(9(2)15(3)4)12(8)14(17)19-6/h7H,1-6H3/b11-9+.
What are the key properties of dimethyl (5E)-5-[1-(dimethylamino)ethylidene]-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate?
dimethyl (5E)-5-[1-(dimethylamino)ethylidene]-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (5E)-5-[1-(dimethylamino)ethylidene]-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate is sourced from PubChem (CID 5363348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).