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'}

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Related Compounds

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-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
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
5H-Pyrrolo(3,4-b)pyridine-5,7(6H)-dione, 6-methyl-
CID 138833
2-Butylpyrrolo[3,4-c]pyridine-1,3-dione
CID 303506
4-(1,3-dioxo-1H,2H,3H-pyrrolo(3,4-c)pyridin-2-yl)butanoic acid
CID 56828914
2-(Morpholin-4-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 2133496

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).