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

C11H12N2O5 — CID 107849840

IUPAC2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1c2ccncc2C(=O)N1C(CO)(CO)CO
InChIInChI=1S/C11H12N2O5/c14-4-11(5-15,6-16)13-9(17)7-1-2-12-3-8(7)10(13)18/h1-3,14-16H,4-6H2
InChIKeyUEBCWPQRTZYVPO-UHFFFAOYSA-N
MW252.23 g/mol
LogP-1.61
Rot. Bonds4

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

2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 107849840) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is 2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID107849840
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1c2ccncc2C(=O)N1C(CO)(CO)CO
InChIInChI=1S/C11H12N2O5/c14-4-11(5-15,6-16)13-9(17)7-1-2-12-3-8(7)10(13)18/h1-3,14-16H,4-6H2
InChIKeyUEBCWPQRTZYVPO-UHFFFAOYSA-N
XLogP-1.61
TPSA110.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyrrolo[3,4-c]pyridine-1,3-dione (CID 107849840) is 2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyrrolo[3,4-c]pyridine-1,3-dione is O=C1c2ccncc2C(=O)N1C(CO)(CO)CO.
What is the InChIKey of 2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is UEBCWPQRTZYVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c14-4-11(5-15,6-16)13-9(17)7-1-2-12-3-8(7)10(13)18/h1-3,14-16H,4-6H2.
What are the key properties of 2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyrrolo[3,4-c]pyridine-1,3-dione?
2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 252.23 g/mol, XLogP of -1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 107849840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).