3,6-bis(dihydroxymethylidene)-1-N,4-N-dimethylcyclohexa-1,4-diene-1,4-dicarboxamide

C12H14N2O6 — CID 137452202

IUPAC3,6-bis(dihydroxymethylidene)-1-N,4-N-dimethylcyclohexa-1,4-diene-1,4-dicarboxamide
SMILESCNC(=O)c1cc(=C(O)O)c(C(=O)NC)cc1=C(O)O
InChIInChI=1S/C12H14N2O6/c1-13-9(15)5-3-8(12(19)20)6(10(16)14-2)4-7(5)11(17)18/h3-4,17-20H,1-2H3,(H,13,15)(H,14,16)
InChIKeyQGMGSNCVZOBWLP-UHFFFAOYSA-N
MW282.25 g/mol
LogP-1.23
Rot. Bonds2

About 3,6-bis(dihydroxymethylidene)-1-N,4-N-dimethylcyclohexa-1,4-diene-1,4-dicarboxamide

3,6-bis(dihydroxymethylidene)-1-N,4-N-dimethylcyclohexa-1,4-diene-1,4-dicarboxamide (PubChem CID 137452202) has the molecular formula C12H14N2O6 and a molecular weight of 282.25 g/mol. Its IUPAC name is 3,6-bis(dihydroxymethylidene)-1-N,4-N-dimethylcyclohexa-1,4-diene-1,4-dicarboxamide.

Molecular Properties

Compound Name3,6-bis(dihydroxymethylidene)-1-N,4-N-dimethylcyclohexa-1,4-diene-1,4-dicarboxamide
PubChem CID137452202
Molecular FormulaC12H14N2O6
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Name3,6-bis(dihydroxymethylidene)-1-N,4-N-dimethylcyclohexa-1,4-diene-1,4-dicarboxamide
SMILESCNC(=O)c1cc(=C(O)O)c(C(=O)NC)cc1=C(O)O
InChIInChI=1S/C12H14N2O6/c1-13-9(15)5-3-8(12(19)20)6(10(16)14-2)4-7(5)11(17)18/h3-4,17-20H,1-2H3,(H,13,15)(H,14,16)
InChIKeyQGMGSNCVZOBWLP-UHFFFAOYSA-N
XLogP-1.23
TPSA139.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.25
LogP ≤ 5-1.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(dihydroxymethylidene)-1-N,4-N-dimethylcyclohexa-1,4-diene-1,4-dicarboxamide?
The IUPAC name of 3,6-bis(dihydroxymethylidene)-1-N,4-N-dimethylcyclohexa-1,4-diene-1,4-dicarboxamide (CID 137452202) is 3,6-bis(dihydroxymethylidene)-1-N,4-N-dimethylcyclohexa-1,4-diene-1,4-dicarboxamide.
What is the SMILES notation for 3,6-bis(dihydroxymethylidene)-1-N,4-N-dimethylcyclohexa-1,4-diene-1,4-dicarboxamide?
The canonical SMILES for 3,6-bis(dihydroxymethylidene)-1-N,4-N-dimethylcyclohexa-1,4-diene-1,4-dicarboxamide is CNC(=O)c1cc(=C(O)O)c(C(=O)NC)cc1=C(O)O.
What is the InChIKey of 3,6-bis(dihydroxymethylidene)-1-N,4-N-dimethylcyclohexa-1,4-diene-1,4-dicarboxamide?
The InChIKey is QGMGSNCVZOBWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O6/c1-13-9(15)5-3-8(12(19)20)6(10(16)14-2)4-7(5)11(17)18/h3-4,17-20H,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 3,6-bis(dihydroxymethylidene)-1-N,4-N-dimethylcyclohexa-1,4-diene-1,4-dicarboxamide?
3,6-bis(dihydroxymethylidene)-1-N,4-N-dimethylcyclohexa-1,4-diene-1,4-dicarboxamide has a molecular weight of 282.25 g/mol, XLogP of -1.23, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(dihydroxymethylidene)-1-N,4-N-dimethylcyclohexa-1,4-diene-1,4-dicarboxamide is sourced from PubChem (CID 137452202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).