ethyl (6R,7aR)-6-ethoxy-2,3-dioxo-1,4-diphenyl-6,7-dihydropyrano[4,3-b]pyrrole-7a-carboxylate

C24H23NO6 — CID 10938724

IUPACethyl (6R,7aR)-6-ethoxy-2,3-dioxo-1,4-diphenyl-6,7-dihydropyrano[4,3-b]pyrrole-7a-carboxylate
SMILESCCOC(=O)[C@@]12C[C@H](OCC)OC(c3ccccc3)=C1C(=O)C(=O)N2c1ccccc1
InChIInChI=1S/C24H23NO6/c1-3-29-18-15-24(23(28)30-4-2)19(21(31-18)16-11-7-5-8-12-16)20(26)22(27)25(24)17-13-9-6-10-14-17/h5-14,18H,3-4,15H2,1-2H3/t18-,24-/m1/s1
InChIKeyLXGOCPSOOMIZET-HOYKHHGWSA-N
MW421.45 g/mol
LogP3.10
Rot. Bonds6

About ethyl (6R,7aR)-6-ethoxy-2,3-dioxo-1,4-diphenyl-6,7-dihydropyrano[4,3-b]pyrrole-7a-carboxylate

ethyl (6R,7aR)-6-ethoxy-2,3-dioxo-1,4-diphenyl-6,7-dihydropyrano[4,3-b]pyrrole-7a-carboxylate (PubChem CID 10938724) has the molecular formula C24H23NO6 and a molecular weight of 421.45 g/mol. Its IUPAC name is ethyl (6R,7aR)-6-ethoxy-2,3-dioxo-1,4-diphenyl-6,7-dihydropyrano[4,3-b]pyrrole-7a-carboxylate.

Molecular Properties

Compound Nameethyl (6R,7aR)-6-ethoxy-2,3-dioxo-1,4-diphenyl-6,7-dihydropyrano[4,3-b]pyrrole-7a-carboxylate
PubChem CID10938724
Molecular FormulaC24H23NO6
Molecular Weight421.45 g/mol
Exact Mass421.15
IUPAC Nameethyl (6R,7aR)-6-ethoxy-2,3-dioxo-1,4-diphenyl-6,7-dihydropyrano[4,3-b]pyrrole-7a-carboxylate
SMILESCCOC(=O)[C@@]12C[C@H](OCC)OC(c3ccccc3)=C1C(=O)C(=O)N2c1ccccc1
InChIInChI=1S/C24H23NO6/c1-3-29-18-15-24(23(28)30-4-2)19(21(31-18)16-11-7-5-8-12-16)20(26)22(27)25(24)17-13-9-6-10-14-17/h5-14,18H,3-4,15H2,1-2H3/t18-,24-/m1/s1
InChIKeyLXGOCPSOOMIZET-HOYKHHGWSA-N
XLogP3.10
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl (1S,2R,9R)-4,5-dioxo-3,7-diphenyl-8,10-dioxa-3-azatricyclo[7.3.0.02,6]dodec-6-ene-2-carboxylate
CID 10812012
ethyl (1R,2S,3R,10S,11R)-5,6-dioxo-4,8-diphenyl-9-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-7,12-diene-3-carboxylate
CID 98336235
ethyl (1R,2R,9R)-4,5-dioxo-3,7-diphenyl-8,10-dioxa-3-azatricyclo[7.4.0.02,6]tridec-6-ene-2-carboxylate
CID 6576981
1-(2-ethoxy-6-phenyl-3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-1-one
CID 10588393
diethyl (2R)-2-(1,3-dioxoisoindol-2-yl)cyclopropane-1,1-dicarboxylate
CID 169410251
ethyl 1-(2-oxocyclohexyl)-2,3-diphenylcycloprop-2-ene-1-carboxylate
CID 91741060
ethyl (2R)-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
CID 98459518
ethyl 7-benzoyl-2,4-dioxo-3,6-diphenyl-1,3-diazabicyclo[3.2.0]hept-6-ene-5-carboxylate
CID 71696740
ethyl 3-bromo-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
CID 2891433
cis-ethyl (1R,2R)-1-[dimethyl(phenyl)silyl]-2-methylcyclopropane-1-carboxylate
CID 101464653
ethyl (2R,3R)-3-methyl-4,5-dioxo-1,2-diphenylpyrrolidine-3-carboxylate
CID 14868336
ethyl (2S,3R)-3-methyl-4,5-dioxo-1,2-diphenylpyrrolidine-3-carboxylate
CID 14868335

Frequently Asked Questions

What is the IUPAC name of ethyl (6R,7aR)-6-ethoxy-2,3-dioxo-1,4-diphenyl-6,7-dihydropyrano[4,3-b]pyrrole-7a-carboxylate?
The IUPAC name of ethyl (6R,7aR)-6-ethoxy-2,3-dioxo-1,4-diphenyl-6,7-dihydropyrano[4,3-b]pyrrole-7a-carboxylate (CID 10938724) is ethyl (6R,7aR)-6-ethoxy-2,3-dioxo-1,4-diphenyl-6,7-dihydropyrano[4,3-b]pyrrole-7a-carboxylate.
What is the SMILES notation for ethyl (6R,7aR)-6-ethoxy-2,3-dioxo-1,4-diphenyl-6,7-dihydropyrano[4,3-b]pyrrole-7a-carboxylate?
The canonical SMILES for ethyl (6R,7aR)-6-ethoxy-2,3-dioxo-1,4-diphenyl-6,7-dihydropyrano[4,3-b]pyrrole-7a-carboxylate is CCOC(=O)[C@@]12C[C@H](OCC)OC(c3ccccc3)=C1C(=O)C(=O)N2c1ccccc1.
What is the InChIKey of ethyl (6R,7aR)-6-ethoxy-2,3-dioxo-1,4-diphenyl-6,7-dihydropyrano[4,3-b]pyrrole-7a-carboxylate?
The InChIKey is LXGOCPSOOMIZET-HOYKHHGWSA-N. The full InChI is InChI=1S/C24H23NO6/c1-3-29-18-15-24(23(28)30-4-2)19(21(31-18)16-11-7-5-8-12-16)20(26)22(27)25(24)17-13-9-6-10-14-17/h5-14,18H,3-4,15H2,1-2H3/t18-,24-/m1/s1.
What are the key properties of ethyl (6R,7aR)-6-ethoxy-2,3-dioxo-1,4-diphenyl-6,7-dihydropyrano[4,3-b]pyrrole-7a-carboxylate?
ethyl (6R,7aR)-6-ethoxy-2,3-dioxo-1,4-diphenyl-6,7-dihydropyrano[4,3-b]pyrrole-7a-carboxylate has a molecular weight of 421.45 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6R,7aR)-6-ethoxy-2,3-dioxo-1,4-diphenyl-6,7-dihydropyrano[4,3-b]pyrrole-7a-carboxylate is sourced from PubChem (CID 10938724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).