3,3-dihydroxy-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-one;ethane

C12H20N2O3 — CID 171527026

IUPAC3,3-dihydroxy-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-one;ethane
SMILESCC.CC.Cc1cnc2c(c1)C(O)(O)C(=O)N2
InChIInChI=1S/C8H8N2O3.2C2H6/c1-4-2-5-6(9-3-4)10-7(11)8(5,12)13;2*1-2/h2-3,12-13H,1H3,(H,9,10,11);2*1-2H3
InChIKeyGUEUSGCSNAGECF-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.53
Rot. Bonds

About 3,3-dihydroxy-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-one;ethane

3,3-dihydroxy-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-one;ethane (PubChem CID 171527026) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3,3-dihydroxy-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-one;ethane.

Molecular Properties

Compound Name3,3-dihydroxy-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-one;ethane
PubChem CID171527026
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3,3-dihydroxy-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-one;ethane
SMILESCC.CC.Cc1cnc2c(c1)C(O)(O)C(=O)N2
InChIInChI=1S/C8H8N2O3.2C2H6/c1-4-2-5-6(9-3-4)10-7(11)8(5,12)13;2*1-2/h2-3,12-13H,1H3,(H,9,10,11);2*1-2H3
InChIKeyGUEUSGCSNAGECF-UHFFFAOYSA-N
XLogP1.53
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dihydroxy-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-one;ethane?
The IUPAC name of 3,3-dihydroxy-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-one;ethane (CID 171527026) is 3,3-dihydroxy-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-one;ethane.
What is the SMILES notation for 3,3-dihydroxy-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-one;ethane?
The canonical SMILES for 3,3-dihydroxy-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-one;ethane is CC.CC.Cc1cnc2c(c1)C(O)(O)C(=O)N2.
What is the InChIKey of 3,3-dihydroxy-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-one;ethane?
The InChIKey is GUEUSGCSNAGECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3.2C2H6/c1-4-2-5-6(9-3-4)10-7(11)8(5,12)13;2*1-2/h2-3,12-13H,1H3,(H,9,10,11);2*1-2H3.
What are the key properties of 3,3-dihydroxy-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-one;ethane?
3,3-dihydroxy-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-one;ethane has a molecular weight of 240.30 g/mol, XLogP of 1.53, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dihydroxy-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-one;ethane is sourced from PubChem (CID 171527026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).