ethyl 2-oxo-8-phenyl-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate

C20H17NO4 — CID 44582430

IUPACethyl 2-oxo-8-phenyl-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate
SMILESCCOC(=O)c1cc2c(oc1=O)-c1cn(-c3ccccc3)cc1CC2
InChIInChI=1S/C20H17NO4/c1-2-24-19(22)16-10-13-8-9-14-11-21(15-6-4-3-5-7-15)12-17(14)18(13)25-20(16)23/h3-7,10-12H,2,8-9H2,1H3
InChIKeyHZGCDPINTHBBMP-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.37
Rot. Bonds3

About ethyl 2-oxo-8-phenyl-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate

ethyl 2-oxo-8-phenyl-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate (PubChem CID 44582430) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is ethyl 2-oxo-8-phenyl-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-8-phenyl-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate
PubChem CID44582430
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Nameethyl 2-oxo-8-phenyl-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate
SMILESCCOC(=O)c1cc2c(oc1=O)-c1cn(-c3ccccc3)cc1CC2
InChIInChI=1S/C20H17NO4/c1-2-24-19(22)16-10-13-8-9-14-11-21(15-6-4-3-5-7-15)12-17(14)18(13)25-20(16)23/h3-7,10-12H,2,8-9H2,1H3
InChIKeyHZGCDPINTHBBMP-UHFFFAOYSA-N
XLogP3.37
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-8-phenyl-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate?
The IUPAC name of ethyl 2-oxo-8-phenyl-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate (CID 44582430) is ethyl 2-oxo-8-phenyl-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate.
What is the SMILES notation for ethyl 2-oxo-8-phenyl-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate?
The canonical SMILES for ethyl 2-oxo-8-phenyl-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate is CCOC(=O)c1cc2c(oc1=O)-c1cn(-c3ccccc3)cc1CC2.
What is the InChIKey of ethyl 2-oxo-8-phenyl-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate?
The InChIKey is HZGCDPINTHBBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-2-24-19(22)16-10-13-8-9-14-11-21(15-6-4-3-5-7-15)12-17(14)18(13)25-20(16)23/h3-7,10-12H,2,8-9H2,1H3.
What are the key properties of ethyl 2-oxo-8-phenyl-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate?
ethyl 2-oxo-8-phenyl-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-8-phenyl-5,6-dihydropyrano[2,3-e]isoindole-3-carboxylate is sourced from PubChem (CID 44582430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).