2-(morpholin-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione

C12H13N3O3 — CID 115324338

IUPAC2-(morpholin-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1c2ccncc2C(=O)N1CC1CNCCO1
InChIInChI=1S/C12H13N3O3/c16-11-9-1-2-13-6-10(9)12(17)15(11)7-8-5-14-3-4-18-8/h1-2,6,8,14H,3-5,7H2
InChIKeyGHWYAMYARHAQQO-UHFFFAOYSA-N
MW247.25 g/mol
LogP-0.33
Rot. Bonds2

About 2-(morpholin-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione

2-(morpholin-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 115324338) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-(morpholin-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-(morpholin-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID115324338
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-(morpholin-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1c2ccncc2C(=O)N1CC1CNCCO1
InChIInChI=1S/C12H13N3O3/c16-11-9-1-2-13-6-10(9)12(17)15(11)7-8-5-14-3-4-18-8/h1-2,6,8,14H,3-5,7H2
InChIKeyGHWYAMYARHAQQO-UHFFFAOYSA-N
XLogP-0.33
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-(morpholin-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione (CID 115324338) is 2-(morpholin-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-(morpholin-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-(morpholin-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione is O=C1c2ccncc2C(=O)N1CC1CNCCO1.
What is the InChIKey of 2-(morpholin-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is GHWYAMYARHAQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c16-11-9-1-2-13-6-10(9)12(17)15(11)7-8-5-14-3-4-18-8/h1-2,6,8,14H,3-5,7H2.
What are the key properties of 2-(morpholin-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
2-(morpholin-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 247.25 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 115324338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).