4-(2,3-dimethoxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione

C17H19NO5 — CID 56698823

IUPAC4-(2,3-dimethoxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
SMILESCOc1cccc(C2CC(=O)NC3=C2C(=O)OC3(C)C)c1OC
InChIInChI=1S/C17H19NO5/c1-17(2)15-13(16(20)23-17)10(8-12(19)18-15)9-6-5-7-11(21-3)14(9)22-4/h5-7,10H,8H2,1-4H3,(H,18,19)
InChIKeyQUBCVHSGGWNCAA-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.90
Rot. Bonds3

About 4-(2,3-dimethoxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione

4-(2,3-dimethoxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 56698823) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is 4-(2,3-dimethoxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name4-(2,3-dimethoxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
PubChem CID56698823
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name4-(2,3-dimethoxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
SMILESCOc1cccc(C2CC(=O)NC3=C2C(=O)OC3(C)C)c1OC
InChIInChI=1S/C17H19NO5/c1-17(2)15-13(16(20)23-17)10(8-12(19)18-15)9-6-5-7-11(21-3)14(9)22-4/h5-7,10H,8H2,1-4H3,(H,18,19)
InChIKeyQUBCVHSGGWNCAA-UHFFFAOYSA-N
XLogP1.90
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,3-dimethoxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethoxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of 4-(2,3-dimethoxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione (CID 56698823) is 4-(2,3-dimethoxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for 4-(2,3-dimethoxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for 4-(2,3-dimethoxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione is COc1cccc(C2CC(=O)NC3=C2C(=O)OC3(C)C)c1OC.
What is the InChIKey of 4-(2,3-dimethoxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is QUBCVHSGGWNCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-17(2)15-13(16(20)23-17)10(8-12(19)18-15)9-6-5-7-11(21-3)14(9)22-4/h5-7,10H,8H2,1-4H3,(H,18,19).
What are the key properties of 4-(2,3-dimethoxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione?
4-(2,3-dimethoxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione has a molecular weight of 317.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethoxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 56698823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).