(1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione

C14H12N2O3 — CID 25155328

IUPAC(1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione
SMILESCc1cc2c(c(=O)[nH]1)C(=O)N/C2=C\c1ccc(C)o1
InChIInChI=1S/C14H12N2O3/c1-7-5-10-11(6-9-4-3-8(2)19-9)16-14(18)12(10)13(17)15-7/h3-6H,1-2H3,(H,15,17)(H,16,18)/b11-6-
InChIKeyLXIHRJAVQOOJDB-WDZFZDKYSA-N
MW256.26 g/mol
LogP1.83
Rot. Bonds1

About (1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione

(1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione (PubChem CID 25155328) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is (1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name(1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione
PubChem CID25155328
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name(1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione
SMILESCc1cc2c(c(=O)[nH]1)C(=O)N/C2=C\c1ccc(C)o1
InChIInChI=1S/C14H12N2O3/c1-7-5-10-11(6-9-4-3-8(2)19-9)16-14(18)12(10)13(17)15-7/h3-6H,1-2H3,(H,15,17)(H,16,18)/b11-6-
InChIKeyLXIHRJAVQOOJDB-WDZFZDKYSA-N
XLogP1.83
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione?
The IUPAC name of (1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione (CID 25155328) is (1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for (1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for (1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione is Cc1cc2c(c(=O)[nH]1)C(=O)N/C2=C\c1ccc(C)o1.
What is the InChIKey of (1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione?
The InChIKey is LXIHRJAVQOOJDB-WDZFZDKYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-7-5-10-11(6-9-4-3-8(2)19-9)16-14(18)12(10)13(17)15-7/h3-6H,1-2H3,(H,15,17)(H,16,18)/b11-6-.
What are the key properties of (1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione?
(1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione has a molecular weight of 256.26 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 25155328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).