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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Related Compounds

5-bromo-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one
CID 66779522
3-amino-1-ethyl-3,4-dihydro-1,8-naphthyridin-2-one;dihydrochloride
CID 69232619
1-(furan-2-yl)-3H-pyrrolo[2,3-b]pyridin-2-one
CID 142017824
3-methyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]-3H-pyrrolo[2,3-b]pyridin-2-one
CID 126590450
1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2,3-dione
CID 141384491
1-(pyridin-2-ylmethyl)-3H-indol-2-one
CID 90893291
5-methyl-10H-pyrazino[2,3-b][1,8]naphthyridine
CID 162174860
1-decyl-4H-1,8-naphthyridine-3-carboxamide
CID 175151436
1-(2-methoxyethyl)-3H-indol-2-one
CID 58486241
(3Z)-3-[(Z)-(1-benzyl-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]-1-ethylpyrrolo[2,3-b]pyridin-2-one
CID 130387571
1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 82083873
2-[2-[(7R)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl]ethyl]isoindole-1,3-dione
CID 22857563

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).