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

C8H6N2O3 — CID 736233

IUPAC2-(hydroxymethyl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1c2ccncc2C(=O)N1CO
InChIInChI=1S/C8H6N2O3/c11-4-10-7(12)5-1-2-9-3-6(5)8(10)13/h1-3,11H,4H2
InChIKeyOJVRSMPJIJWLIO-UHFFFAOYSA-N
MW178.15 g/mol
LogP-0.37
Rot. Bonds1

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

2-(hydroxymethyl)pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 736233) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 2-(hydroxymethyl)pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-(hydroxymethyl)pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID736233
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name2-(hydroxymethyl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1c2ccncc2C(=O)N1CO
InChIInChI=1S/C8H6N2O3/c11-4-10-7(12)5-1-2-9-3-6(5)8(10)13/h1-3,11H,4H2
InChIKeyOJVRSMPJIJWLIO-UHFFFAOYSA-N
XLogP-0.37
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-Diethylnicotinamide
CID 5497
N-(Hydroxymethyl)nicotinamide
CID 77116
4-Phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one
CID 3071506
N,N-Dimethylnicotinamide
CID 81444
N-(2,5-difluorophenyl)-3-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)propanamide
CID 1502163
2-(Pyridin-3-ylmethyl)isoindoline-1,3-dione
CID 709455
3,4-Pyridinedicarboximide
CID 72926
4-Pyridinecarboxamide, N,N-bis(2-hydroxyethyl)-
CID 116925
N,N-Dipropylnicotinamide
CID 139084
2-benzyl-1H-pyrrolo[3,4-c]pyridin-3-one
CID 6622480
1,2-Dihydro-3H-pyrrolo(3,4-c)pyridin-3-one
CID 20505166
3,4-Pyridinedicarboxamide
CID 3511863

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-(hydroxymethyl)pyrrolo[3,4-c]pyridine-1,3-dione (CID 736233) is 2-(hydroxymethyl)pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-(hydroxymethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-(hydroxymethyl)pyrrolo[3,4-c]pyridine-1,3-dione is O=C1c2ccncc2C(=O)N1CO.
What is the InChIKey of 2-(hydroxymethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is OJVRSMPJIJWLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c11-4-10-7(12)5-1-2-9-3-6(5)8(10)13/h1-3,11H,4H2.
What are the key properties of 2-(hydroxymethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
2-(hydroxymethyl)pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 178.15 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 736233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).