1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine

C11H14N2O — CID 59595069

IUPAC1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine
SMILESCOCCCn1ccc2cccnc21
InChIInChI=1S/C11H14N2O/c1-14-9-3-7-13-8-5-10-4-2-6-12-11(10)13/h2,4-6,8H,3,7,9H2,1H3
InChIKeyLGHXYPRKCOUTPH-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.07
Rot. Bonds4

About 1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine

1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine (PubChem CID 59595069) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine
PubChem CID59595069
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine
SMILESCOCCCn1ccc2cccnc21
InChIInChI=1S/C11H14N2O/c1-14-9-3-7-13-8-5-10-4-2-6-12-11(10)13/h2,4-6,8H,3,7,9H2,1H3
InChIKeyLGHXYPRKCOUTPH-UHFFFAOYSA-N
XLogP2.07
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.07
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-(3-methoxypropyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine (CID 59595069) is 1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine is COCCCn1ccc2cccnc21.
What is the InChIKey of 1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine?
The InChIKey is LGHXYPRKCOUTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-14-9-3-7-13-8-5-10-4-2-6-12-11(10)13/h2,4-6,8H,3,7,9H2,1H3.
What are the key properties of 1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine?
1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine has a molecular weight of 190.25 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59595069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).