1-(1-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-5-yl)ethanone;tungsten

C10H9N2OW- — CID 58078614

IUPAC1-(1-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-5-yl)ethanone;tungsten
SMILESCC(=O)c1[c-]c2ccn(C)c2nc1.[W]
InChIInChI=1S/C10H9N2O.W/c1-7(13)9-5-8-3-4-12(2)10(8)11-6-9;/h3-4,6H,1-2H3;/q-1;
InChIKeyUACPTUWATIJFLS-UHFFFAOYSA-N
MW357.04 g/mol
LogP1.57
Rot. Bonds1

About 1-(1-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-5-yl)ethanone;tungsten

1-(1-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-5-yl)ethanone;tungsten (PubChem CID 58078614) has the molecular formula C10H9N2OW- and a molecular weight of 357.04 g/mol. Its IUPAC name is 1-(1-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-5-yl)ethanone;tungsten.

Molecular Properties

Compound Name1-(1-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-5-yl)ethanone;tungsten
PubChem CID58078614
Molecular FormulaC10H9N2OW-
Molecular Weight357.04 g/mol
Exact Mass357.02
IUPAC Name1-(1-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-5-yl)ethanone;tungsten
SMILESCC(=O)c1[c-]c2ccn(C)c2nc1.[W]
InChIInChI=1S/C10H9N2O.W/c1-7(13)9-5-8-3-4-12(2)10(8)11-6-9;/h3-4,6H,1-2H3;/q-1;
InChIKeyUACPTUWATIJFLS-UHFFFAOYSA-N
XLogP1.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.04
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-5-yl)ethanone;tungsten?
The IUPAC name of 1-(1-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-5-yl)ethanone;tungsten (CID 58078614) is 1-(1-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-5-yl)ethanone;tungsten.
What is the SMILES notation for 1-(1-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-5-yl)ethanone;tungsten?
The canonical SMILES for 1-(1-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-5-yl)ethanone;tungsten is CC(=O)c1[c-]c2ccn(C)c2nc1.[W].
What is the InChIKey of 1-(1-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-5-yl)ethanone;tungsten?
The InChIKey is UACPTUWATIJFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N2O.W/c1-7(13)9-5-8-3-4-12(2)10(8)11-6-9;/h3-4,6H,1-2H3;/q-1;.
What are the key properties of 1-(1-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-5-yl)ethanone;tungsten?
1-(1-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-5-yl)ethanone;tungsten has a molecular weight of 357.04 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-4H-pyrrolo[2,3-b]pyridin-4-id-5-yl)ethanone;tungsten is sourced from PubChem (CID 58078614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).