1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine

C8H10N2 — CID 89012886

IUPAC1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine
SMILESCn1ccc2c1=NCCC=2
InChIInChI=1S/C8H10N2/c1-10-6-4-7-3-2-5-9-8(7)10/h3-4,6H,2,5H2,1H3
InChIKeyHNYAKVIKLNYWLZ-UHFFFAOYSA-N
MW134.18 g/mol
LogP-0.17
Rot. Bonds

About 1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine

1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine (PubChem CID 89012886) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine
PubChem CID89012886
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine
SMILESCn1ccc2c1=NCCC=2
InChIInChI=1S/C8H10N2/c1-10-6-4-7-3-2-5-9-8(7)10/h3-4,6H,2,5H2,1H3
InChIKeyHNYAKVIKLNYWLZ-UHFFFAOYSA-N
XLogP-0.17
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine?
The IUPAC name of 1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine (CID 89012886) is 1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine is Cn1ccc2c1=NCCC=2.
What is the InChIKey of 1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine?
The InChIKey is HNYAKVIKLNYWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-10-6-4-7-3-2-5-9-8(7)10/h3-4,6H,2,5H2,1H3.
What are the key properties of 1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine?
1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine has a molecular weight of 134.18 g/mol, XLogP of -0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,6-dihydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 89012886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).