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

C12H12N2O3 — CID 20930756

IUPAC2-(oxolan-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1c2ccncc2C(=O)N1CC1CCCO1
InChIInChI=1S/C12H12N2O3/c15-11-9-3-4-13-6-10(9)12(16)14(11)7-8-2-1-5-17-8/h3-4,6,8H,1-2,5,7H2
InChIKeyFGFRNONINTUPRK-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.86
Rot. Bonds2

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

2-(oxolan-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 20930756) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-(oxolan-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID20930756
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-(oxolan-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1c2ccncc2C(=O)N1CC1CCCO1
InChIInChI=1S/C12H12N2O3/c15-11-9-3-4-13-6-10(9)12(16)14(11)7-8-2-1-5-17-8/h3-4,6,8H,1-2,5,7H2
InChIKeyFGFRNONINTUPRK-UHFFFAOYSA-N
XLogP0.86
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-Pyridinedicarboximide
CID 72926
2-{1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]pyridin-2-yl}acetic acid
CID 4076920
2-(hydroxymethyl)-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione
CID 736233
3-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)propanoic acid
CID 712563
2-cyclohexyl-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione
CID 1263478
2-[3-[Benzyl(methyl)amino]propyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 44818783
1-methyl-N-(oxolan-2-ylmethyl)pyridin-1-ium-3-carboxamide iodide
CID 15945803
2-benzyl-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione
CID 711901
2-(Pyridin-4-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 44564699
2-(2-Piperidin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 44564700
[(4aR,7aS)-4-(2-pyrrolidin-1-ylethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyridin-3-ylmethanone
CID 97377479
2-[(3aR,7S,7aS)-2-(pyridine-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone
CID 97379957

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-(oxolan-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione (CID 20930756) is 2-(oxolan-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-(oxolan-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-(oxolan-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione is O=C1c2ccncc2C(=O)N1CC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is FGFRNONINTUPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-11-9-3-4-13-6-10(9)12(16)14(11)7-8-2-1-5-17-8/h3-4,6,8H,1-2,5,7H2.
What are the key properties of 2-(oxolan-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione?
2-(oxolan-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 232.24 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 20930756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).