2-[2-(2-methoxyethylamino)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione

C12H15N3O3 — CID 83030500

IUPAC2-[2-(2-methoxyethylamino)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCOCCNCCN1C(=O)c2ccncc2C1=O
InChIInChI=1S/C12H15N3O3/c1-18-7-5-13-4-6-15-11(16)9-2-3-14-8-10(9)12(15)17/h2-3,8,13H,4-7H2,1H3
InChIKeyWJNYJMLWEKAJNW-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.09
Rot. Bonds6

About 2-[2-(2-methoxyethylamino)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione

2-[2-(2-methoxyethylamino)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 83030500) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[2-(2-methoxyethylamino)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-[2-(2-methoxyethylamino)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID83030500
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-[2-(2-methoxyethylamino)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCOCCNCCN1C(=O)c2ccncc2C1=O
InChIInChI=1S/C12H15N3O3/c1-18-7-5-13-4-6-15-11(16)9-2-3-14-8-10(9)12(15)17/h2-3,8,13H,4-7H2,1H3
InChIKeyWJNYJMLWEKAJNW-UHFFFAOYSA-N
XLogP-0.09
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.09
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 2-[2-(2-methoxyethylamino)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-[2-(2-methoxyethylamino)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione (CID 83030500) is 2-[2-(2-methoxyethylamino)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-[2-(2-methoxyethylamino)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-[2-(2-methoxyethylamino)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione is COCCNCCN1C(=O)c2ccncc2C1=O.
What is the InChIKey of 2-[2-(2-methoxyethylamino)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is WJNYJMLWEKAJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-18-7-5-13-4-6-15-11(16)9-2-3-14-8-10(9)12(15)17/h2-3,8,13H,4-7H2,1H3.
What are the key properties of 2-[2-(2-methoxyethylamino)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione?
2-[2-(2-methoxyethylamino)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 249.27 g/mol, XLogP of -0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethylamino)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 83030500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).