4-(hydroxymethyl)-1H-indeno[2,1-b]pyridine-2,9-dione

C13H9NO3 — CID 162846113

IUPAC4-(hydroxymethyl)-1H-indeno[2,1-b]pyridine-2,9-dione
SMILESO=C1c2ccccc2-c2c(CO)cc(=O)[nH]c21
InChIInChI=1S/C13H9NO3/c15-6-7-5-10(16)14-12-11(7)8-3-1-2-4-9(8)13(12)17/h1-5,15H,6H2,(H,14,16)
InChIKeyGWHIATSUGRFNFZ-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.08
Rot. Bonds1

About 4-(hydroxymethyl)-1H-indeno[2,1-b]pyridine-2,9-dione

4-(hydroxymethyl)-1H-indeno[2,1-b]pyridine-2,9-dione (PubChem CID 162846113) has the molecular formula C13H9NO3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1H-indeno[2,1-b]pyridine-2,9-dione.

Molecular Properties

Compound Name4-(hydroxymethyl)-1H-indeno[2,1-b]pyridine-2,9-dione
PubChem CID162846113
Molecular FormulaC13H9NO3
Molecular Weight227.22 g/mol
Exact Mass227.06
IUPAC Name4-(hydroxymethyl)-1H-indeno[2,1-b]pyridine-2,9-dione
SMILESO=C1c2ccccc2-c2c(CO)cc(=O)[nH]c21
InChIInChI=1S/C13H9NO3/c15-6-7-5-10(16)14-12-11(7)8-3-1-2-4-9(8)13(12)17/h1-5,15H,6H2,(H,14,16)
InChIKeyGWHIATSUGRFNFZ-UHFFFAOYSA-N
XLogP1.08
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1H-indeno[2,1-b]pyridine-2,9-dione?
The IUPAC name of 4-(hydroxymethyl)-1H-indeno[2,1-b]pyridine-2,9-dione (CID 162846113) is 4-(hydroxymethyl)-1H-indeno[2,1-b]pyridine-2,9-dione.
What is the SMILES notation for 4-(hydroxymethyl)-1H-indeno[2,1-b]pyridine-2,9-dione?
The canonical SMILES for 4-(hydroxymethyl)-1H-indeno[2,1-b]pyridine-2,9-dione is O=C1c2ccccc2-c2c(CO)cc(=O)[nH]c21.
What is the InChIKey of 4-(hydroxymethyl)-1H-indeno[2,1-b]pyridine-2,9-dione?
The InChIKey is GWHIATSUGRFNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3/c15-6-7-5-10(16)14-12-11(7)8-3-1-2-4-9(8)13(12)17/h1-5,15H,6H2,(H,14,16).
What are the key properties of 4-(hydroxymethyl)-1H-indeno[2,1-b]pyridine-2,9-dione?
4-(hydroxymethyl)-1H-indeno[2,1-b]pyridine-2,9-dione has a molecular weight of 227.22 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1H-indeno[2,1-b]pyridine-2,9-dione is sourced from PubChem (CID 162846113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).