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

C19H14N2O2S — CID 25156423

IUPAC(1Z)-6-methyl-1-[(5-phenylthiophen-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione
SMILESCc1cc2c(c(=O)[nH]1)C(=O)N/C2=C\c1ccc(-c2ccccc2)s1
InChIInChI=1S/C19H14N2O2S/c1-11-9-14-15(21-19(23)17(14)18(22)20-11)10-13-7-8-16(24-13)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,22)(H,21,23)/b15-10-
InChIKeyVZRYWVSKJDTEPW-GDNBJRDFSA-N
MW334.40 g/mol
LogP3.65
Rot. Bonds2

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

(1Z)-6-methyl-1-[(5-phenylthiophen-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione (PubChem CID 25156423) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is (1Z)-6-methyl-1-[(5-phenylthiophen-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name(1Z)-6-methyl-1-[(5-phenylthiophen-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione
PubChem CID25156423
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name(1Z)-6-methyl-1-[(5-phenylthiophen-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione
SMILESCc1cc2c(c(=O)[nH]1)C(=O)N/C2=C\c1ccc(-c2ccccc2)s1
InChIInChI=1S/C19H14N2O2S/c1-11-9-14-15(21-19(23)17(14)18(22)20-11)10-13-7-8-16(24-13)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,22)(H,21,23)/b15-10-
InChIKeyVZRYWVSKJDTEPW-GDNBJRDFSA-N
XLogP3.65
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.65
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-phenylthiophen-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione?
The IUPAC name of (1Z)-6-methyl-1-[(5-phenylthiophen-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione (CID 25156423) is (1Z)-6-methyl-1-[(5-phenylthiophen-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for (1Z)-6-methyl-1-[(5-phenylthiophen-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for (1Z)-6-methyl-1-[(5-phenylthiophen-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione is Cc1cc2c(c(=O)[nH]1)C(=O)N/C2=C\c1ccc(-c2ccccc2)s1.
What is the InChIKey of (1Z)-6-methyl-1-[(5-phenylthiophen-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione?
The InChIKey is VZRYWVSKJDTEPW-GDNBJRDFSA-N. The full InChI is InChI=1S/C19H14N2O2S/c1-11-9-14-15(21-19(23)17(14)18(22)20-11)10-13-7-8-16(24-13)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,22)(H,21,23)/b15-10-.
What are the key properties of (1Z)-6-methyl-1-[(5-phenylthiophen-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione?
(1Z)-6-methyl-1-[(5-phenylthiophen-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione has a molecular weight of 334.40 g/mol, XLogP of 3.65, 2 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-phenylthiophen-2-yl)methylidene]-5H-pyrrolo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 25156423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).