(1Z)-1-(furan-2-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione

C13H9NO4 — CID 6380041

IUPAC(1Z)-1-(furan-2-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1ccco1
InChIInChI=1S/C13H9NO4/c1-7-5-9-10(6-8-3-2-4-17-8)18-13(16)11(9)12(15)14-7/h2-6H,1H3,(H,14,15)/b10-6-
InChIKeyOWBFOPJTOGDDQN-POHAHGRESA-N
MW243.22 g/mol
LogP1.94
Rot. Bonds1

About (1Z)-1-(furan-2-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione

(1Z)-1-(furan-2-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione (PubChem CID 6380041) has the molecular formula C13H9NO4 and a molecular weight of 243.22 g/mol. Its IUPAC name is (1Z)-1-(furan-2-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name(1Z)-1-(furan-2-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
PubChem CID6380041
Molecular FormulaC13H9NO4
Molecular Weight243.22 g/mol
Exact Mass243.05
IUPAC Name(1Z)-1-(furan-2-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1ccco1
InChIInChI=1S/C13H9NO4/c1-7-5-9-10(6-8-3-2-4-17-8)18-13(16)11(9)12(15)14-7/h2-6H,1H3,(H,14,15)/b10-6-
InChIKeyOWBFOPJTOGDDQN-POHAHGRESA-N
XLogP1.94
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(furan-2-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The IUPAC name of (1Z)-1-(furan-2-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione (CID 6380041) is (1Z)-1-(furan-2-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for (1Z)-1-(furan-2-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for (1Z)-1-(furan-2-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione is Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1ccco1.
What is the InChIKey of (1Z)-1-(furan-2-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The InChIKey is OWBFOPJTOGDDQN-POHAHGRESA-N. The full InChI is InChI=1S/C13H9NO4/c1-7-5-9-10(6-8-3-2-4-17-8)18-13(16)11(9)12(15)14-7/h2-6H,1H3,(H,14,15)/b10-6-.
What are the key properties of (1Z)-1-(furan-2-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
(1Z)-1-(furan-2-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione has a molecular weight of 243.22 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(furan-2-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 6380041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).