ethyl 5-methyl-2,4-dioxo-7a-phenyl-6,7-dihydrofuro[3,2-c]pyridine-3-carboxylate

C17H17NO5 — CID 11358958

IUPACethyl 5-methyl-2,4-dioxo-7a-phenyl-6,7-dihydrofuro[3,2-c]pyridine-3-carboxylate
SMILESCCOC(=O)C1=C2C(=O)N(C)CCC2(c2ccccc2)OC1=O
InChIInChI=1S/C17H17NO5/c1-3-22-15(20)12-13-14(19)18(2)10-9-17(13,23-16(12)21)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
InChIKeyFQEWJEIKZJHCTF-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.16
Rot. Bonds3

About ethyl 5-methyl-2,4-dioxo-7a-phenyl-6,7-dihydrofuro[3,2-c]pyridine-3-carboxylate

ethyl 5-methyl-2,4-dioxo-7a-phenyl-6,7-dihydrofuro[3,2-c]pyridine-3-carboxylate (PubChem CID 11358958) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is ethyl 5-methyl-2,4-dioxo-7a-phenyl-6,7-dihydrofuro[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2,4-dioxo-7a-phenyl-6,7-dihydrofuro[3,2-c]pyridine-3-carboxylate
PubChem CID11358958
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Nameethyl 5-methyl-2,4-dioxo-7a-phenyl-6,7-dihydrofuro[3,2-c]pyridine-3-carboxylate
SMILESCCOC(=O)C1=C2C(=O)N(C)CCC2(c2ccccc2)OC1=O
InChIInChI=1S/C17H17NO5/c1-3-22-15(20)12-13-14(19)18(2)10-9-17(13,23-16(12)21)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
InChIKeyFQEWJEIKZJHCTF-UHFFFAOYSA-N
XLogP1.16
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2,4-dioxo-7a-phenyl-6,7-dihydrofuro[3,2-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2,4-dioxo-7a-phenyl-6,7-dihydrofuro[3,2-c]pyridine-3-carboxylate (CID 11358958) is ethyl 5-methyl-2,4-dioxo-7a-phenyl-6,7-dihydrofuro[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2,4-dioxo-7a-phenyl-6,7-dihydrofuro[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2,4-dioxo-7a-phenyl-6,7-dihydrofuro[3,2-c]pyridine-3-carboxylate is CCOC(=O)C1=C2C(=O)N(C)CCC2(c2ccccc2)OC1=O.
What is the InChIKey of ethyl 5-methyl-2,4-dioxo-7a-phenyl-6,7-dihydrofuro[3,2-c]pyridine-3-carboxylate?
The InChIKey is FQEWJEIKZJHCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-3-22-15(20)12-13-14(19)18(2)10-9-17(13,23-16(12)21)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3.
What are the key properties of ethyl 5-methyl-2,4-dioxo-7a-phenyl-6,7-dihydrofuro[3,2-c]pyridine-3-carboxylate?
ethyl 5-methyl-2,4-dioxo-7a-phenyl-6,7-dihydrofuro[3,2-c]pyridine-3-carboxylate has a molecular weight of 315.33 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2,4-dioxo-7a-phenyl-6,7-dihydrofuro[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 11358958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).