2-[(4-hydroxyoxan-4-yl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione

C13H14N2O4 — CID 81130926

IUPAC2-[(4-hydroxyoxan-4-yl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1c2ccncc2C(=O)N1CC1(O)CCOCC1
InChIInChI=1S/C13H14N2O4/c16-11-9-1-4-14-7-10(9)12(17)15(11)8-13(18)2-5-19-6-3-13/h1,4,7,18H,2-3,5-6,8H2
InChIKeyPNHZWXNHAONXCH-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.22
Rot. Bonds2

About 2-[(4-hydroxyoxan-4-yl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione

2-[(4-hydroxyoxan-4-yl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 81130926) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[(4-hydroxyoxan-4-yl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-[(4-hydroxyoxan-4-yl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID81130926
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-[(4-hydroxyoxan-4-yl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1c2ccncc2C(=O)N1CC1(O)CCOCC1
InChIInChI=1S/C13H14N2O4/c16-11-9-1-4-14-7-10(9)12(17)15(11)8-13(18)2-5-19-6-3-13/h1,4,7,18H,2-3,5-6,8H2
InChIKeyPNHZWXNHAONXCH-UHFFFAOYSA-N
XLogP0.22
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(4-hydroxyoxan-4-yl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyoxan-4-yl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-[(4-hydroxyoxan-4-yl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione (CID 81130926) is 2-[(4-hydroxyoxan-4-yl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-[(4-hydroxyoxan-4-yl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-[(4-hydroxyoxan-4-yl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione is O=C1c2ccncc2C(=O)N1CC1(O)CCOCC1.
What is the InChIKey of 2-[(4-hydroxyoxan-4-yl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is PNHZWXNHAONXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-11-9-1-4-14-7-10(9)12(17)15(11)8-13(18)2-5-19-6-3-13/h1,4,7,18H,2-3,5-6,8H2.
What are the key properties of 2-[(4-hydroxyoxan-4-yl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione?
2-[(4-hydroxyoxan-4-yl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 262.26 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyoxan-4-yl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 81130926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).