1-(propoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one

C11H14N2O2 — CID 146594866

IUPAC1-(propoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one
SMILESCCCOCN1C(=O)Cc2cccnc21
InChIInChI=1S/C11H14N2O2/c1-2-6-15-8-13-10(14)7-9-4-3-5-12-11(9)13/h3-5H,2,6-8H2,1H3
InChIKeyHLAZGDBLUJIETJ-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.35
Rot. Bonds4

About 1-(propoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one

1-(propoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 146594866) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-(propoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name1-(propoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID146594866
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name1-(propoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one
SMILESCCCOCN1C(=O)Cc2cccnc21
InChIInChI=1S/C11H14N2O2/c1-2-6-15-8-13-10(14)7-9-4-3-5-12-11(9)13/h3-5H,2,6-8H2,1H3
InChIKeyHLAZGDBLUJIETJ-UHFFFAOYSA-N
XLogP1.35
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(propoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 1-(propoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one (CID 146594866) is 1-(propoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 1-(propoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 1-(propoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one is CCCOCN1C(=O)Cc2cccnc21.
What is the InChIKey of 1-(propoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is HLAZGDBLUJIETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-6-15-8-13-10(14)7-9-4-3-5-12-11(9)13/h3-5H,2,6-8H2,1H3.
What are the key properties of 1-(propoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one?
1-(propoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 206.24 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 146594866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).