6-[2-(2-hydroxyethoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione

C11H12N2O4 — CID 62498637

IUPAC6-[2-(2-hydroxyethoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1CCOCCO
InChIInChI=1S/C11H12N2O4/c14-5-7-17-6-4-13-10(15)8-2-1-3-12-9(8)11(13)16/h1-3,14H,4-7H2
InChIKeyVCZYHCPRYGXIDZ-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.31
Rot. Bonds5

About 6-[2-(2-hydroxyethoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione

6-[2-(2-hydroxyethoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 62498637) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 6-[2-(2-hydroxyethoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-[2-(2-hydroxyethoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID62498637
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name6-[2-(2-hydroxyethoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1CCOCCO
InChIInChI=1S/C11H12N2O4/c14-5-7-17-6-4-13-10(15)8-2-1-3-12-9(8)11(13)16/h1-3,14H,4-7H2
InChIKeyVCZYHCPRYGXIDZ-UHFFFAOYSA-N
XLogP-0.31
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-hydroxyethoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-[2-(2-hydroxyethoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione (CID 62498637) is 6-[2-(2-hydroxyethoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-[2-(2-hydroxyethoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-[2-(2-hydroxyethoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione is O=C1c2cccnc2C(=O)N1CCOCCO.
What is the InChIKey of 6-[2-(2-hydroxyethoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is VCZYHCPRYGXIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c14-5-7-17-6-4-13-10(15)8-2-1-3-12-9(8)11(13)16/h1-3,14H,4-7H2.
What are the key properties of 6-[2-(2-hydroxyethoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione?
6-[2-(2-hydroxyethoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 236.23 g/mol, XLogP of -0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-hydroxyethoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 62498637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).