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

C13H16N2O — CID 141395746

IUPAC3-ethenyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine
SMILESC=Cc1cn(CCCOC)c2ccncc12
InChIInChI=1S/C13H16N2O/c1-3-11-10-15(7-4-8-16-2)13-5-6-14-9-12(11)13/h3,5-6,9-10H,1,4,7-8H2,2H3
InChIKeyVQMRSZKFLXKFAE-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.72
Rot. Bonds5

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

3-ethenyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine (PubChem CID 141395746) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-ethenyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name3-ethenyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine
PubChem CID141395746
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-ethenyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine
SMILESC=Cc1cn(CCCOC)c2ccncc12
InChIInChI=1S/C13H16N2O/c1-3-11-10-15(7-4-8-16-2)13-5-6-14-9-12(11)13/h3,5-6,9-10H,1,4,7-8H2,2H3
InChIKeyVQMRSZKFLXKFAE-UHFFFAOYSA-N
XLogP2.72
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.72
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

3-iodo-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridine
CID 66634165
6-chloro-1-(3-methoxypropyl)indole-3-carbaldehyde
CID 59494814
3-methyl-1-propylpyrrolo[3,2-c]pyridine
CID 144600617
1-butylpyrrolo[3,2-c]pyridine-3-carboxylic acid
CID 90178300
ethane;3-methyl-1-propylpyrrolo[3,2-c]pyridine
CID 144600616
1-pentylpyrrolo[3,2-c]pyridine-3-carboxamide
CID 159841368
1-(2-methoxyethyl)indole-3-carbaldehyde
CID 2194468
(4Z)-1-butyl-4-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-2-methylpyrazolidine-3,5-dione
CID 166973025
3-ethenyl-4-methoxypyridine
CID 56972695
3-(3-methoxypropyl)imidazole-4-carbaldehyde
CID 66146994
N-[(E)-[1-(3-phenoxypropyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide
CID 25251365
1-(3-methoxypropyl)-4-methylindole
CID 116620203

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine?
The IUPAC name of 3-ethenyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine (CID 141395746) is 3-ethenyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 3-ethenyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine?
The canonical SMILES for 3-ethenyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine is C=Cc1cn(CCCOC)c2ccncc12.
What is the InChIKey of 3-ethenyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine?
The InChIKey is VQMRSZKFLXKFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-11-10-15(7-4-8-16-2)13-5-6-14-9-12(11)13/h3,5-6,9-10H,1,4,7-8H2,2H3.
What are the key properties of 3-ethenyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine?
3-ethenyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine has a molecular weight of 216.28 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 141395746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).