dimethyl 2,4-dihydroxy-1-(naphthalen-1-ylmethyl)-5-oxopyrrole-2,3-dicarboxylate

C19H17NO7 — CID 135004002

IUPACdimethyl 2,4-dihydroxy-1-(naphthalen-1-ylmethyl)-5-oxopyrrole-2,3-dicarboxylate
SMILESCOC(=O)C1=C(O)C(=O)N(Cc2cccc3ccccc23)C1(O)C(=O)OC
InChIInChI=1S/C19H17NO7/c1-26-17(23)14-15(21)16(22)20(19(14,25)18(24)27-2)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9,21,25H,10H2,1-2H3
InChIKeyWZWSZFIMNOKMGL-UHFFFAOYSA-N
MW371.35 g/mol
LogP1.03
Rot. Bonds4

About dimethyl 2,4-dihydroxy-1-(naphthalen-1-ylmethyl)-5-oxopyrrole-2,3-dicarboxylate

dimethyl 2,4-dihydroxy-1-(naphthalen-1-ylmethyl)-5-oxopyrrole-2,3-dicarboxylate (PubChem CID 135004002) has the molecular formula C19H17NO7 and a molecular weight of 371.35 g/mol. Its IUPAC name is dimethyl 2,4-dihydroxy-1-(naphthalen-1-ylmethyl)-5-oxopyrrole-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,4-dihydroxy-1-(naphthalen-1-ylmethyl)-5-oxopyrrole-2,3-dicarboxylate
PubChem CID135004002
Molecular FormulaC19H17NO7
Molecular Weight371.35 g/mol
Exact Mass371.10
IUPAC Namedimethyl 2,4-dihydroxy-1-(naphthalen-1-ylmethyl)-5-oxopyrrole-2,3-dicarboxylate
SMILESCOC(=O)C1=C(O)C(=O)N(Cc2cccc3ccccc23)C1(O)C(=O)OC
InChIInChI=1S/C19H17NO7/c1-26-17(23)14-15(21)16(22)20(19(14,25)18(24)27-2)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9,21,25H,10H2,1-2H3
InChIKeyWZWSZFIMNOKMGL-UHFFFAOYSA-N
XLogP1.03
TPSA113.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-hydroxy-1-(naphthalen-1-ylmethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 54737682
Dimethyl 4-hydroxy-1-(naphthalen-1-ylmethyl)-6-oxopyridine-2,3-dicarboxylate
CID 135003784
Dimethyl 2,4-dihydroxy-1-[(4-methylphenyl)methyl]-5-oxopyrrole-2,3-dicarboxylate
CID 135008756
Methyl 5-(hydroxymethyl)-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate
CID 18474887
Dimethyl 3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4,5-dicarboxylate
CID 18474915

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,4-dihydroxy-1-(naphthalen-1-ylmethyl)-5-oxopyrrole-2,3-dicarboxylate?
The IUPAC name of dimethyl 2,4-dihydroxy-1-(naphthalen-1-ylmethyl)-5-oxopyrrole-2,3-dicarboxylate (CID 135004002) is dimethyl 2,4-dihydroxy-1-(naphthalen-1-ylmethyl)-5-oxopyrrole-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 2,4-dihydroxy-1-(naphthalen-1-ylmethyl)-5-oxopyrrole-2,3-dicarboxylate?
The canonical SMILES for dimethyl 2,4-dihydroxy-1-(naphthalen-1-ylmethyl)-5-oxopyrrole-2,3-dicarboxylate is COC(=O)C1=C(O)C(=O)N(Cc2cccc3ccccc23)C1(O)C(=O)OC.
What is the InChIKey of dimethyl 2,4-dihydroxy-1-(naphthalen-1-ylmethyl)-5-oxopyrrole-2,3-dicarboxylate?
The InChIKey is WZWSZFIMNOKMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO7/c1-26-17(23)14-15(21)16(22)20(19(14,25)18(24)27-2)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9,21,25H,10H2,1-2H3.
What are the key properties of dimethyl 2,4-dihydroxy-1-(naphthalen-1-ylmethyl)-5-oxopyrrole-2,3-dicarboxylate?
dimethyl 2,4-dihydroxy-1-(naphthalen-1-ylmethyl)-5-oxopyrrole-2,3-dicarboxylate has a molecular weight of 371.35 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,4-dihydroxy-1-(naphthalen-1-ylmethyl)-5-oxopyrrole-2,3-dicarboxylate is sourced from PubChem (CID 135004002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).